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.

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4,486 – 4,500 of 57,266 results

4,486

(R)-(-)-alpha-Methoxyphenylacetic acid, 99%

CAS: 3966-32-3 Molecular Formula: C₉H₁₀O₃ Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004250 InChI Key: DIWVBIXQCNRCFE-MRVPVSSYSA-N Synonym: r---alpha-methoxyphenylacetic acid,r-2-methoxy-2-phenylacetic acid,2r-2-methoxy-2-phenylacetic acid,r-methoxyphenylacetic acid,r-methoxy phenyl acetic acid,methoxy phenyl acetic acid #,r---.alpha.-methoxyphenylacetic acid,benzeneacetic acid, .alpha.-methoxy-, r,o-methyl-d-mandelic acid,ksc496q9j PubChem CID: 2724294 IUPAC Name: (2R)-2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O

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PubChem CID	2724294
CAS	3966-32-3
Molecular Weight (g/mol)	166.18
MDL Number	MFCD00004250
SMILES	COC(C1=CC=CC=C1)C(=O)O
Synonym	r---alpha-methoxyphenylacetic acid,r-2-methoxy-2-phenylacetic acid,2r-2-methoxy-2-phenylacetic acid,r-methoxyphenylacetic acid,r-methoxy phenyl acetic acid,methoxy phenyl acetic acid #,r---.alpha.-methoxyphenylacetic acid,benzeneacetic acid, .alpha.-methoxy-, r,o-methyl-d-mandelic acid,ksc496q9j
IUPAC Name	(2R)-2-methoxy-2-phenylacetic acid
InChI Key	DIWVBIXQCNRCFE-MRVPVSSYSA-N
Molecular Formula	C₉H₁₀O₃

4,487

1-[4-(Bromomethyl)phenyl]-1H-1,2,4-triazole, 97%, Thermo Scientific™

CAS: 58419-69-5 Molecular Formula: C9H8BrN3 Molecular Weight (g/mol): 238.088 MDL Number: MFCD04113600 InChI Key: NOUAEJFAVOHNSY-UHFFFAOYSA-N Synonym: 1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole PubChem CID: 2776489 IUPAC Name: 1-[4-(bromomethyl)phenyl]-1,2,4-triazole SMILES: C1=CC(=CC=C1CBr)N2C=NC=N2

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Specifications

PubChem CID	2776489
CAS	58419-69-5
Molecular Weight (g/mol)	238.088
MDL Number	MFCD04113600
SMILES	C1=CC(=CC=C1CBr)N2C=NC=N2
Synonym	1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole
IUPAC Name	1-[4-(bromomethyl)phenyl]-1,2,4-triazole
InChI Key	NOUAEJFAVOHNSY-UHFFFAOYSA-N
Molecular Formula	C9H8BrN3

4,488

Benzyloxyacetyl chloride, 95%

CAS: 19810-31-2 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00010768 InChI Key: QISAUDWTBBNJIR-UHFFFAOYSA-N Synonym: benzyloxyacetyl chloride,2-benzyloxy acetyl chloride,benzyloxy acetyl chloride,benzyloxyacetylchloride,benzyloxy-acetyl chloride,benzyloxyacetic acid chloride,acetyl chloride, phenylmethoxy,acetyl chloride, benzyloxy,alpha-benzyloxy acetyl chloride,bnoch2cocl PubChem CID: 177085 IUPAC Name: 2-phenylmethoxyacetyl chloride SMILES: C1=CC=C(C=C1)COCC(=O)Cl

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Specifications

PubChem CID	177085
CAS	19810-31-2
Molecular Weight (g/mol)	184.619
MDL Number	MFCD00010768
SMILES	C1=CC=C(C=C1)COCC(=O)Cl
Synonym	benzyloxyacetyl chloride,2-benzyloxy acetyl chloride,benzyloxy acetyl chloride,benzyloxyacetylchloride,benzyloxy-acetyl chloride,benzyloxyacetic acid chloride,acetyl chloride, phenylmethoxy,acetyl chloride, benzyloxy,alpha-benzyloxy acetyl chloride,bnoch2cocl
IUPAC Name	2-phenylmethoxyacetyl chloride
InChI Key	QISAUDWTBBNJIR-UHFFFAOYSA-N
Molecular Formula	C9H9ClO2

4,489

4-Amino-2-(trifluoromethyl)benzonitrile, 97%

CAS: 654-70-6 Molecular Formula: C₈H₅F₃N₂ Molecular Weight (g/mol): 186.14 InChI Key: PMDYLCUKSLBUHO-UHFFFAOYSA-N Synonym: 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile PubChem CID: 522170 IUPAC Name: 4-amino-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1N)C(F)(F)F)C#N

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Specifications

PubChem CID	522170
CAS	654-70-6
Molecular Weight (g/mol)	186.14
SMILES	C1=CC(=C(C=C1N)C(F)(F)F)C#N
Synonym	4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile
IUPAC Name	4-amino-2-(trifluoromethyl)benzonitrile
InChI Key	PMDYLCUKSLBUHO-UHFFFAOYSA-N
Molecular Formula	C₈H₅F₃N₂

4,490

2-Fluoro-5-(trifluoromethyl)aniline, 97%

CAS: 535-52-4 Molecular Formula: C7H5F4N Molecular Weight (g/mol): 179.118 MDL Number: MFCD00007653 InChI Key: DRKWGMXFFCPZLW-UHFFFAOYSA-N Synonym: 2-fluoro-5-trifluoromethyl aniline,3-amino-4-fluorobenzotrifluoride,alpha,alpha,alpha,6-tetrafluoro-m-toluidine,4-fluoro-3-aminobenzotrifluoride,2-fluoro-5-trifluoromethyl benzenamine,2-fluoro-5-trifluoromethyl phenylamine,benzenamine, 2-fluoro-5-trifluoromethyl,.alpha.,.alpha.,.alpha.,6-tetrafluoro-m-toluidine,pubchem1538,ksc494s7l PubChem CID: 136349 IUPAC Name: 2-fluoro-5-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1C(F)(F)F)N)F

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Specifications

PubChem CID	136349
CAS	535-52-4
Molecular Weight (g/mol)	179.118
MDL Number	MFCD00007653
SMILES	C1=CC(=C(C=C1C(F)(F)F)N)F
Synonym	2-fluoro-5-trifluoromethyl aniline,3-amino-4-fluorobenzotrifluoride,alpha,alpha,alpha,6-tetrafluoro-m-toluidine,4-fluoro-3-aminobenzotrifluoride,2-fluoro-5-trifluoromethyl benzenamine,2-fluoro-5-trifluoromethyl phenylamine,benzenamine, 2-fluoro-5-trifluoromethyl,.alpha.,.alpha.,.alpha.,6-tetrafluoro-m-toluidine,pubchem1538,ksc494s7l
IUPAC Name	2-fluoro-5-(trifluoromethyl)aniline
InChI Key	DRKWGMXFFCPZLW-UHFFFAOYSA-N
Molecular Formula	C7H5F4N

4,491

2-Bromo-4-(trifluoromethyl)phenol, 98%

CAS: 81107-97-3 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD06657954 InChI Key: DTEDKIRYMYDIGO-UHFFFAOYSA-N PubChem CID: 2761168 IUPAC Name: 2-bromo-4-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)O

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Specifications

PubChem CID	2761168
CAS	81107-97-3
Molecular Weight (g/mol)	241.007
MDL Number	MFCD06657954
SMILES	C1=CC(=C(C=C1C(F)(F)F)Br)O
IUPAC Name	2-bromo-4-(trifluoromethyl)phenol
InChI Key	DTEDKIRYMYDIGO-UHFFFAOYSA-N
Molecular Formula	C7H4BrF3O

4,492

2-Bromobenzyl bromide, 98%

CAS: 3433-80-5 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.933 MDL Number: MFCD00000173 InChI Key: LZSYGJNFCREHMD-UHFFFAOYSA-N Synonym: 2-bromobenzyl bromide,o-bromobenzyl bromide,1-bromo-2-bromomethyl benzene,2-bromobenzylbromide,alpha,2-dibromotoluene,benzene, 1-bromo-2-bromomethyl,alpha,o-dibromotoluene,benzene, bromo bromomethyl,alpha-2-dibromotoluene,a,o-dibromotoluene PubChem CID: 76965 IUPAC Name: 1-bromo-2-(bromomethyl)benzene SMILES: C1=CC=C(C(=C1)CBr)Br

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Specifications

PubChem CID	76965
CAS	3433-80-5
Molecular Weight (g/mol)	249.933
MDL Number	MFCD00000173
SMILES	C1=CC=C(C(=C1)CBr)Br
Synonym	2-bromobenzyl bromide,o-bromobenzyl bromide,1-bromo-2-bromomethyl benzene,2-bromobenzylbromide,alpha,2-dibromotoluene,benzene, 1-bromo-2-bromomethyl,alpha,o-dibromotoluene,benzene, bromo bromomethyl,alpha-2-dibromotoluene,a,o-dibromotoluene
IUPAC Name	1-bromo-2-(bromomethyl)benzene
InChI Key	LZSYGJNFCREHMD-UHFFFAOYSA-N
Molecular Formula	C7H6Br2

4,493

3,4-Dichlorobenzyl bromide, 98%

CAS: 18880-04-1 Molecular Formula: C7H5BrCl2 Molecular Weight (g/mol): 239.921 MDL Number: MFCD00041363 InChI Key: XLWSBDFQAJXCQX-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763 PubChem CID: 639726 IUPAC Name: 4-(bromomethyl)-1,2-dichlorobenzene SMILES: C1=CC(=C(C=C1CBr)Cl)Cl

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Specifications

PubChem CID	639726
CAS	18880-04-1
Molecular Weight (g/mol)	239.921
MDL Number	MFCD00041363
SMILES	C1=CC(=C(C=C1CBr)Cl)Cl
Synonym	3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763
IUPAC Name	4-(bromomethyl)-1,2-dichlorobenzene
InChI Key	XLWSBDFQAJXCQX-UHFFFAOYSA-N
Molecular Formula	C7H5BrCl2

4,494

(S)-2-Amino-3-benzyloxy-1-propanol hydrochloride, 98+%, Thermo Scientific Chemicals

CAS: 61366-43-6 Molecular Formula: C10H16ClNO2 Molecular Weight (g/mol): 217.69 MDL Number: MFCD07368914 InChI Key: BJWHQBTUHVIRJJ-UHFFFAOYNA-N Synonym: s-2-amino-3-benzyloxy propan-1-ol hydrochloride,s-2-amino-3-benzyloxy-1-propanol hydrochloride,2s-2-amino-3-benzyloxy propan-1-ol hydrochloride,s---2-amino-3-benzyloxy-1-propanol??hcl,s-2-amino-3-benzyloxy-propan-1-ol hydrochloride,2s-2-amino-3-benzyloxy propan-1-ol-hydrogen chloride 1/1 PubChem CID: 53338757 SMILES: Cl.NC(CO)COCC1=CC=CC=C1

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Specifications

PubChem CID	53338757
CAS	61366-43-6
Molecular Weight (g/mol)	217.69
MDL Number	MFCD07368914
SMILES	Cl.NC(CO)COCC1=CC=CC=C1
Synonym	s-2-amino-3-benzyloxy propan-1-ol hydrochloride,s-2-amino-3-benzyloxy-1-propanol hydrochloride,2s-2-amino-3-benzyloxy propan-1-ol hydrochloride,s---2-amino-3-benzyloxy-1-propanol??hcl,s-2-amino-3-benzyloxy-propan-1-ol hydrochloride,2s-2-amino-3-benzyloxy propan-1-ol-hydrogen chloride 1/1
InChI Key	BJWHQBTUHVIRJJ-UHFFFAOYNA-N
Molecular Formula	C10H16ClNO2

4,495

4-Bromophenylacetonitrile, 99%

CAS: 16532-79-9 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00001916 InChI Key: MFHFWRBXPQDZSA-UHFFFAOYSA-N Synonym: 4-bromophenylacetonitrile,4-bromobenzyl cyanide,2-4-bromophenyl acetonitrile,benzeneacetonitrile, 4-bromo,p-bromophenylacetonitrile,4-bromobenzylcyanide,4-bromobenzeneacetonitrile,p-bromobenzyl cyanide,p-bromobenzylcyanide,acetonitrile, p-bromophenyl PubChem CID: 27914 IUPAC Name: 2-(4-bromophenyl)acetonitrile SMILES: BrC1=CC=C(CC#N)C=C1

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Specifications

PubChem CID	27914
CAS	16532-79-9
Molecular Weight (g/mol)	196.05
MDL Number	MFCD00001916
SMILES	BrC1=CC=C(CC#N)C=C1
Synonym	4-bromophenylacetonitrile,4-bromobenzyl cyanide,2-4-bromophenyl acetonitrile,benzeneacetonitrile, 4-bromo,p-bromophenylacetonitrile,4-bromobenzylcyanide,4-bromobenzeneacetonitrile,p-bromobenzyl cyanide,p-bromobenzylcyanide,acetonitrile, p-bromophenyl
IUPAC Name	2-(4-bromophenyl)acetonitrile
InChI Key	MFHFWRBXPQDZSA-UHFFFAOYSA-N
Molecular Formula	C8H6BrN

4,496

3,5-Dimethylbenzyl bromide, 98%

CAS: 27129-86-8 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00013539 InChI Key: QXDHXCVJGBTQMK-UHFFFAOYSA-N Synonym: 3,5-dimethylbenzyl bromide,1-bromomethyl-3,5-dimethylbenzene,3,5-dimethylbenzylbromide,alpha-bromomesitylene,benzene, 1-bromomethyl-3,5-dimethyl,.alpha.-bromomesitylene,5-bromomethyl-1,3-dimethylbenzene,a-bromomesitylene,pubchem9979,3,5dimethylbenzyl bromide PubChem CID: 141334 IUPAC Name: 1-(bromomethyl)-3,5-dimethylbenzene SMILES: CC1=CC(=CC(=C1)CBr)C

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Specifications

PubChem CID	141334
CAS	27129-86-8
Molecular Weight (g/mol)	199.091
MDL Number	MFCD00013539
SMILES	CC1=CC(=CC(=C1)CBr)C
Synonym	3,5-dimethylbenzyl bromide,1-bromomethyl-3,5-dimethylbenzene,3,5-dimethylbenzylbromide,alpha-bromomesitylene,benzene, 1-bromomethyl-3,5-dimethyl,.alpha.-bromomesitylene,5-bromomethyl-1,3-dimethylbenzene,a-bromomesitylene,pubchem9979,3,5dimethylbenzyl bromide
IUPAC Name	1-(bromomethyl)-3,5-dimethylbenzene
InChI Key	QXDHXCVJGBTQMK-UHFFFAOYSA-N
Molecular Formula	C9H11Br

4,497

Benzyl alcohol, for analysis

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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Specifications

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

4,498

o-Xylylene dichloride, 98%

CAS: 612-12-4 Molecular Formula: C8H8Cl2 Molecular Weight (g/mol): 175.05 MDL Number: MFCD00000903 InChI Key: FMGGHNGKHRCJLL-UHFFFAOYSA-N Synonym: 1,2-bis chloromethyl benzene,o-xylylene dichloride,alpha,alpha'-dichloro-o-xylene,o-bis chloromethyl benzene,benzene, 1,2-bis chloromethyl,ccris 1773,o-xylene, alpha,alpha'-dichloro,benzene, 1,2-dichloromethyl,.alpha.,.alpha.'-dichloro-o-xylene,o-xylylenchlorid PubChem CID: 11919 IUPAC Name: 1,2-bis(chloromethyl)benzene SMILES: ClCC1=CC=CC=C1CCl

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Specifications

PubChem CID	11919
CAS	612-12-4
Molecular Weight (g/mol)	175.05
MDL Number	MFCD00000903
SMILES	ClCC1=CC=CC=C1CCl
Synonym	1,2-bis chloromethyl benzene,o-xylylene dichloride,alpha,alpha'-dichloro-o-xylene,o-bis chloromethyl benzene,benzene, 1,2-bis chloromethyl,ccris 1773,o-xylene, alpha,alpha'-dichloro,benzene, 1,2-dichloromethyl,.alpha.,.alpha.'-dichloro-o-xylene,o-xylylenchlorid
IUPAC Name	1,2-bis(chloromethyl)benzene
InChI Key	FMGGHNGKHRCJLL-UHFFFAOYSA-N
Molecular Formula	C8H8Cl2

4,499

2-Bromobenzyl alcohol, 98%

CAS: 18982-54-2 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00004600 InChI Key: IOWGHQGLUMEZKG-UHFFFAOYSA-N Synonym: 2-bromobenzyl alcohol,2-bromophenyl methanol,o-bromobenzyl alcohol,benzenemethanol, 2-bromo,o-bromo-benzyl alcohol,2-bromobenzylalcohol,2-bromophenyl methan-1-ol,o-bromobenzylalcohol,2-bromo-benzylalcohol,pubchem3746 PubChem CID: 72850 IUPAC Name: (2-bromophenyl)methanol SMILES: OCC1=CC=CC=C1Br

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Specifications

PubChem CID	72850
CAS	18982-54-2
Molecular Weight (g/mol)	187.04
MDL Number	MFCD00004600
SMILES	OCC1=CC=CC=C1Br
Synonym	2-bromobenzyl alcohol,2-bromophenyl methanol,o-bromobenzyl alcohol,benzenemethanol, 2-bromo,o-bromo-benzyl alcohol,2-bromobenzylalcohol,2-bromophenyl methan-1-ol,o-bromobenzylalcohol,2-bromo-benzylalcohol,pubchem3746
IUPAC Name	(2-bromophenyl)methanol
InChI Key	IOWGHQGLUMEZKG-UHFFFAOYSA-N
Molecular Formula	C7H7BrO

4,500

4-Aminophenylacetonitrile, 99%

CAS: 3544-25-0 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00007912 InChI Key: YCWRFIYBUQBHJI-UHFFFAOYSA-N Synonym: 4-aminobenzyl cyanide,4-aminophenylacetonitrile,2-4-aminophenyl acetonitrile,4-aminophenyl acetonitrile,p-aminobenzyl cyanide,benzeneacetonitrile, 4-amino,4-aminobenzylcyanide,4-amino-phenyl-acetonitrile,2-4-aminophenyl ethanenitrile,4-aminobenzyl PubChem CID: 77000 IUPAC Name: 2-(4-aminophenyl)acetonitrile SMILES: NC1=CC=C(CC#N)C=C1

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Specifications

PubChem CID	77000
CAS	3544-25-0
Molecular Weight (g/mol)	132.17
MDL Number	MFCD00007912
SMILES	NC1=CC=C(CC#N)C=C1
Synonym	4-aminobenzyl cyanide,4-aminophenylacetonitrile,2-4-aminophenyl acetonitrile,4-aminophenyl acetonitrile,p-aminobenzyl cyanide,benzeneacetonitrile, 4-amino,4-aminobenzylcyanide,4-amino-phenyl-acetonitrile,2-4-aminophenyl ethanenitrile,4-aminobenzyl
IUPAC Name	2-(4-aminophenyl)acetonitrile
InChI Key	YCWRFIYBUQBHJI-UHFFFAOYSA-N
Molecular Formula	C8H8N2

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