Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

1 – 15 of 8,506 results

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p-Anisaldehyde, 99+%

CAS: 123-11-5 Molecular Formula: C₈H₈O₂ Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O

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PubChem CID	31244
CAS	123-11-5
Molecular Weight (g/mol)	136.15
ChEBI	CHEBI:28235
MDL Number	MFCD00003385
SMILES	COC1=CC=C(C=C1)C=O
Synonym	p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine
IUPAC Name	4-methoxybenzaldehyde
InChI Key	ZRSNZINYAWTAHE-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₂

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Isoeugenol, 98+%, mixture of cis/trans isomers

CAS: 97-54-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00009285 InChI Key: BJIOGJUNALELMI-ONEGZZNKSA-N Synonym: isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene PubChem CID: 853433 ChEBI: CHEBI:50545 SMILES: COC1=CC(\C=C\C)=CC=C1O

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PubChem CID	853433
CAS	97-54-1
Molecular Weight (g/mol)	164.20
ChEBI	CHEBI:50545
MDL Number	MFCD00009285
SMILES	COC1=CC(\C=C\C)=CC=C1O
Synonym	isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene
InChI Key	BJIOGJUNALELMI-ONEGZZNKSA-N
Molecular Formula	C10H12O2

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4-Dimethylaminobenzaldehyde, 99+%

CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1

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PubChem CID	7479
CAS	100-10-7
Molecular Weight (g/mol)	149.19
MDL Number	MFCD00003381
SMILES	CN(C)C1=CC=C(C=O)C=C1
Synonym	4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal
IUPAC Name	4-(dimethylamino)benzaldehyde
InChI Key	BGNGWHSBYQYVRX-UHFFFAOYSA-N
Molecular Formula	C9H11NO

3-Chloroperoxybenzoic Acid, 70-75%, balance 3-Chlorobenzoic Acid and water

3-Chloroperoxybenzoic acid, 70-75%, C7H5ClO3, CAS Number-937-14-4, 535-80-8, 7732-18-5 | CAS: 937-14-4 | C7H5ClO3 | 172.56 g/mol

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Specifications

Linear Formula	ClC₆H₄CO₃H
Molecular Weight (g/mol)	172.56
ChEBI	CHEBI:52091
CAS Min %	25.0
InChI Key	NHQDETIJWKXCTC-UHFFFAOYSA-N
Density	0.5600g/mL
PubChem CID	70297
Name Note	70 - 75%
Percent Purity	70-75%
Fieser	01,135; 02,68; 03,49; 04,85; 05,120; 06,110; 07,62; 08,97; 09,108; 10,92; 11,122; 12,118; 13,76; 15,86; 16,80; 17,76
RTECS Number	SD9470000
Formula Weight	172.57
Melting Point	92.0°C to 94.0°C
CAS Max %	30.0
Color	White
Physical Form	Moist Powder
SMILES	OOC(=O)C1=CC=CC(Cl)=C1
Merck Index	15,2154
Assay Percent Range	di-m-Chlorobenzoyl peroxide: < 0.1% Typical (HPLC)
CAS	7732-18-5
Health Hazard 3	GHS P Statement Wear protective gloves/protective clothing/eye protection/face protection. Keep away from heat/sparks/open flames/hot surfaces. - No smoking. Keep/Store away from clothing/ combustible materials. IF SWALLOWED: rin
MDL Number	MFCD00002127
Health Hazard 2	GHS H Statement Causes severe skin burns and eye damage. Harmful if swallowed. Heating may cause a fire.
Solubility Information	Solubility in water: insoluble. Other solubilities: soluble in koh, soluble in chloroform and acetone
Health Hazard 1	GHS Signal Word: Danger
Synonym	3-chloroperoxybenzoic acid,3-chloroperbenzoic acid,mcpba,m-chloroperbenzoic acid,m-chloroperoxybenzoic acid,meta-chloroperoxybenzoic acid,benzenecarboperoxoic acid, 3-chloro,m-chlorobenzoyl hydroperoxide,meta-chloroperbenzoic acid,3-chlorobenzoperoxoic acid
TSCA	TSCA
IUPAC Name	3-chlorobenzenecarboperoxoic acid
Beilstein	09,IV,972
Molecular Formula	C7H5ClO3
EINECS Number	213-322-3
Specific Gravity	0.56

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Benzophenone, 99%, pure

CAS: 119-61-9 Molecular Formula: C₁₃H₁₀O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Synonym: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

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PubChem CID	3102
CAS	119-61-9
Molecular Weight (g/mol)	182.22
ChEBI	CHEBI:41308
SMILES	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Synonym	benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone
IUPAC Name	diphenylmethanone
InChI Key	RWCCWEUUXYIKHB-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₀O

Methyl 4-hydroxybenzoate, 99%

CAS: 99-76-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002352 InChI Key: LXCFILQKKLGQFO-UHFFFAOYSA-N Synonym: methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m PubChem CID: 7456 ChEBI: CHEBI:31835 IUPAC Name: methyl 4-hydroxybenzoate SMILES: COC(=O)C1=CC=C(C=C1)O

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PubChem CID	7456
CAS	99-76-3
Molecular Weight (g/mol)	152.149
ChEBI	CHEBI:31835
MDL Number	MFCD00002352
SMILES	COC(=O)C1=CC=C(C=C1)O
Synonym	methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m
IUPAC Name	methyl 4-hydroxybenzoate
InChI Key	LXCFILQKKLGQFO-UHFFFAOYSA-N
Molecular Formula	C8H8O3

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Benzoic acid, 99.6%, ACS reagent

CAS: 65-85-0 Molecular Formula: C₇H₆O₂ Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O

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PubChem CID	243
CAS	65-85-0
Molecular Weight (g/mol)	122.12
ChEBI	CHEBI:30746
SMILES	C1=CC=C(C=C1)C(=O)O
Synonym	benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv
IUPAC Name	benzoic acid
InChI Key	WPYMKLBDIGXBTP-UHFFFAOYSA-N
Molecular Formula	C₇H₆O₂

1,3,5-Trimethoxybenzene, 99%

CAS: 621-23-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00008385 InChI Key: LKUDPHPHKOZXCD-UHFFFAOYSA-N Synonym: phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259 PubChem CID: 69301 ChEBI: CHEBI:31038 IUPAC Name: 1,3,5-trimethoxybenzene SMILES: COC1=CC(OC)=CC(OC)=C1

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Specifications

PubChem CID	69301
CAS	621-23-8
Molecular Weight (g/mol)	168.19
ChEBI	CHEBI:31038
MDL Number	MFCD00008385
SMILES	COC1=CC(OC)=CC(OC)=C1
Synonym	phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259
IUPAC Name	1,3,5-trimethoxybenzene
InChI Key	LKUDPHPHKOZXCD-UHFFFAOYSA-N
Molecular Formula	C9H12O3

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PubChem CID	7479
CAS	100-10-7
Molecular Weight (g/mol)	149.19
MDL Number	MFCD00003381
SMILES	CN(C)C1=CC=C(C=O)C=C1
Synonym	4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal
IUPAC Name	4-(dimethylamino)benzaldehyde
InChI Key	BGNGWHSBYQYVRX-UHFFFAOYSA-N
Molecular Formula	C9H11NO

Benzyl alcohol, specified according to requirements of Ph.Eur.

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

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PubChem CID	244
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
MDL Number	MFCD00004599,MFCD03792087
SMILES	OCC1=CC=CC=C1
Synonym	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula	C7H8O

Triphenylphosphine, 99+%

CAS: 603-35-0 Molecular Formula: C18H15P Molecular Weight (g/mol): 262.29 MDL Number: MFCD00003043 MFCD20489348 InChI Key: RIOQSEWOXXDEQQ-UHFFFAOYSA-N Synonym: triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin PubChem CID: 11776 IUPAC Name: triphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID	11776
CAS	603-35-0
Molecular Weight (g/mol)	262.29
MDL Number	MFCD00003043 MFCD20489348
SMILES	C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin
IUPAC Name	triphenylphosphane
InChI Key	RIOQSEWOXXDEQQ-UHFFFAOYSA-N
Molecular Formula	C18H15P

Phenylacetaldehyde, 95%

CAS: 122-78-1 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00006993 InChI Key: DTUQWGWMVIHBKE-UHFFFAOYSA-N Synonym: phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde PubChem CID: 998 ChEBI: CHEBI:16424 IUPAC Name: 2-phenylacetaldehyde SMILES: O=CCC1=CC=CC=C1

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PubChem CID	998
CAS	122-78-1
Molecular Weight (g/mol)	120.15
ChEBI	CHEBI:16424
MDL Number	MFCD00006993
SMILES	O=CCC1=CC=CC=C1
Synonym	phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde
IUPAC Name	2-phenylacetaldehyde
InChI Key	DTUQWGWMVIHBKE-UHFFFAOYSA-N
Molecular Formula	C8H8O

Sodium salicylate, 99%

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

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PubChem CID	16760658
CAS	54-21-7
Molecular Weight (g/mol)	160.104
ChEBI	CHEBI:9180
MDL Number	MFCD00002440
SMILES	C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym	sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name	sodium;2-hydroxybenzoate
InChI Key	ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula	C7H5NaO3

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p-Tolualdehyde, 99+%

CAS: 104-87-0 Molecular Formula: C₈H₈O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00006954 InChI Key: FXLOVSHXALFLKQ-UHFFFAOYSA-N Synonym: p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde PubChem CID: 7725 ChEBI: CHEBI:28617 IUPAC Name: 4-methylbenzaldehyde SMILES: CC1=CC=C(C=C1)C=O

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PubChem CID	7725
CAS	104-87-0
Molecular Weight (g/mol)	120.15
ChEBI	CHEBI:28617
MDL Number	MFCD00006954
SMILES	CC1=CC=C(C=C1)C=O
Synonym	p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde
IUPAC Name	4-methylbenzaldehyde
InChI Key	FXLOVSHXALFLKQ-UHFFFAOYSA-N
Molecular Formula	C₈H₈O

Probenecid, 98%

CAS: 57-66-9 Molecular Formula: C13H19NO4S Molecular Weight (g/mol): 285.36 MDL Number: MFCD00038402 InChI Key: DBABZHXKTCFAPX-UHFFFAOYSA-N Synonym: probenecid,4-dipropylsulfamoyl benzoic acid,probenecid acid,probecid,benecid,benemid,benuryl,probalan,probenemid,probexin PubChem CID: 4911 ChEBI: CHEBI:8426 IUPAC Name: 4-(dipropylsulfamoyl)benzoic acid SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O

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Specifications

PubChem CID	4911
CAS	57-66-9
Molecular Weight (g/mol)	285.36
ChEBI	CHEBI:8426
MDL Number	MFCD00038402
SMILES	CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O
Synonym	probenecid,4-dipropylsulfamoyl benzoic acid,probenecid acid,probecid,benecid,benemid,benuryl,probalan,probenemid,probexin
IUPAC Name	4-(dipropylsulfamoyl)benzoic acid
InChI Key	DBABZHXKTCFAPX-UHFFFAOYSA-N
Molecular Formula	C13H19NO4S

Benzene and substituted derivatives

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