Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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2,101 – 2,115 of 78,691 results

2,101

4-Bromobenzamide, 97%, Thermo Scientific™

CAS: 698-67-9 Molecular Formula: C₇H₆BrNO Molecular Weight (g/mol): 200.03 MDL Number: MFCD00007991 InChI Key: ZRWNRAJCPNLYAK-UHFFFAOYSA-N Synonym: p-bromobenzamide,benzamide, 4-bromo,benzamide, p-bromo,p-bromobenzoic acid amide,4-bromo-benzamide,4-bromo benzamide,pubchem3737,acmc-209obe,4-bromobenzamide,4-bromobenzoic acid amide PubChem CID: 69683 IUPAC Name: 4-bromobenzamide SMILES: C1=CC(=CC=C1C(=O)N)Br

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Specifications

PubChem CID	69683
CAS	698-67-9
Molecular Weight (g/mol)	200.03
MDL Number	MFCD00007991
SMILES	C1=CC(=CC=C1C(=O)N)Br
Synonym	p-bromobenzamide,benzamide, 4-bromo,benzamide, p-bromo,p-bromobenzoic acid amide,4-bromo-benzamide,4-bromo benzamide,pubchem3737,acmc-209obe,4-bromobenzamide,4-bromobenzoic acid amide
IUPAC Name	4-bromobenzamide
InChI Key	ZRWNRAJCPNLYAK-UHFFFAOYSA-N
Molecular Formula	C₇H₆BrNO

2,102

1-Bromo-3,4,5-trimethoxybenzene, 97%

CAS: 2675-79-8 Molecular Formula: C9H11BrO3 Molecular Weight (g/mol): 247.09 MDL Number: MFCD00017169 InChI Key: XAOOZMATJDXDQJ-UHFFFAOYSA-N Synonym: 1-bromo-3,4,5-trimethoxybenzene,3,4,5-trimethoxybromobenzene,bromotrimethoxybenzene,benzene, 5-bromo-1,2,3-trimethoxy,5-bromo-1,2,3-trimethoxy-benzene,pubchem10980,3,4,5-trimethoxybromoben,ksc490o1d,3,4,5-trimethoxyphenylbromide,3,4,5-triemethoxyphenylbromide PubChem CID: 75885 IUPAC Name: 5-bromo-1,2,3-trimethoxybenzene SMILES: COC1=CC(Br)=CC(OC)=C1OC

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Specifications

PubChem CID	75885
CAS	2675-79-8
Molecular Weight (g/mol)	247.09
MDL Number	MFCD00017169
SMILES	COC1=CC(Br)=CC(OC)=C1OC
Synonym	1-bromo-3,4,5-trimethoxybenzene,3,4,5-trimethoxybromobenzene,bromotrimethoxybenzene,benzene, 5-bromo-1,2,3-trimethoxy,5-bromo-1,2,3-trimethoxy-benzene,pubchem10980,3,4,5-trimethoxybromoben,ksc490o1d,3,4,5-trimethoxyphenylbromide,3,4,5-triemethoxyphenylbromide
IUPAC Name	5-bromo-1,2,3-trimethoxybenzene
InChI Key	XAOOZMATJDXDQJ-UHFFFAOYSA-N
Molecular Formula	C9H11BrO3

2,103

5-Chloro-2-methylaniline, 98%

CAS: 95-79-4 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.60 MDL Number: MFCD00007779 InChI Key: WRZOMWDJOLIVQP-UHFFFAOYSA-N Synonym: 5-chloro-o-toluidine,2-amino-4-chlorotoluene,2-methyl-5-chloroaniline,fast red kb base,benzenamine, 5-chloro-2-methyl,ansibase red kb,red kb base,4-chloro-2-aminotoluene,3-chloro-6-methylaniline,pharmazoid red kb PubChem CID: 7260 ChEBI: CHEBI:82422 IUPAC Name: 5-chloro-2-methylaniline SMILES: CC1=CC=C(Cl)C=C1N

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Specifications

PubChem CID	7260
CAS	95-79-4
Molecular Weight (g/mol)	141.60
ChEBI	CHEBI:82422
MDL Number	MFCD00007779
SMILES	CC1=CC=C(Cl)C=C1N
Synonym	5-chloro-o-toluidine,2-amino-4-chlorotoluene,2-methyl-5-chloroaniline,fast red kb base,benzenamine, 5-chloro-2-methyl,ansibase red kb,red kb base,4-chloro-2-aminotoluene,3-chloro-6-methylaniline,pharmazoid red kb
IUPAC Name	5-chloro-2-methylaniline
InChI Key	WRZOMWDJOLIVQP-UHFFFAOYSA-N
Molecular Formula	C7H8ClN

2,104

Ethyl 3-aminobenzoate, 99+%

CAS: 582-33-2 Molecular Formula: C₉H₁₁NO₂ Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007794 InChI Key: ZMCBYSBVJIMENC-UHFFFAOYSA-N Synonym: 3-aminobenzoic acid ethyl ester,m-ethoxycarbonylaniline,3-ethoxycarbonyl aniline,ethyl m-aminobenzoate,benzoic acid, 3-amino-, ethyl ester,m-aminobenzoic acid, ethyl ester,m-aminobenzoate,metacaine,3-amino-benzoic acid ethyl ester,benzoic acid, m-amino-, ethyl ester PubChem CID: 11400 ChEBI: CHEBI:81494 IUPAC Name: ethyl 3-aminobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)N

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Specifications

PubChem CID	11400
CAS	582-33-2
Molecular Weight (g/mol)	165.19
ChEBI	CHEBI:81494
MDL Number	MFCD00007794
SMILES	CCOC(=O)C1=CC(=CC=C1)N
Synonym	3-aminobenzoic acid ethyl ester,m-ethoxycarbonylaniline,3-ethoxycarbonyl aniline,ethyl m-aminobenzoate,benzoic acid, 3-amino-, ethyl ester,m-aminobenzoic acid, ethyl ester,m-aminobenzoate,metacaine,3-amino-benzoic acid ethyl ester,benzoic acid, m-amino-, ethyl ester
IUPAC Name	ethyl 3-aminobenzoate
InChI Key	ZMCBYSBVJIMENC-UHFFFAOYSA-N
Molecular Formula	C₉H₁₁NO₂

2,105

4-(Diethylamino)benzaldehyde, 98+%

CAS: 120-21-8 Molecular Formula: C₁₁H₁₅NO Molecular Weight (g/mol): 177.25 MDL Number: MFCD00003382 InChI Key: MNFZZNNFORDXSV-UHFFFAOYSA-N Synonym: 4-diethylamino benzaldehyde,benzaldehyde, 4-diethylamino,p-diethylamino benzaldehyde,p-formyl-n,n-diethylaniline,4-diethylamino-benzaldehyde,benzaldehyde, p-diethylamino,unii-s640xwl10h,p-n,n-diethylaminobenzaldehyde,p-diethylaminobenzaldehyde,4-n,n-diethylamino benzaldehyde PubChem CID: 67114 ChEBI: CHEBI:86194 IUPAC Name: 4-(diethylamino)benzaldehyde SMILES: CCN(CC)C1=CC=C(C=C1)C=O

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Specifications

PubChem CID	67114
CAS	120-21-8
Molecular Weight (g/mol)	177.25
ChEBI	CHEBI:86194
MDL Number	MFCD00003382
SMILES	CCN(CC)C1=CC=C(C=C1)C=O
Synonym	4-diethylamino benzaldehyde,benzaldehyde, 4-diethylamino,p-diethylamino benzaldehyde,p-formyl-n,n-diethylaniline,4-diethylamino-benzaldehyde,benzaldehyde, p-diethylamino,unii-s640xwl10h,p-n,n-diethylaminobenzaldehyde,p-diethylaminobenzaldehyde,4-n,n-diethylamino benzaldehyde
IUPAC Name	4-(diethylamino)benzaldehyde
InChI Key	MNFZZNNFORDXSV-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₅NO

2,106

4-Ethoxy-3-methoxybenzaldehyde, 95%, Thermo Scientific™

CAS: 120-25-2 MDL Number: MFCD00016614 InChI Key: BERFDQAMXIBOHM-UHFFFAOYSA-N Synonym: 4-ethoxy-3-anisaldehyde,4-ethoxy-m-anisaldehyde,benzaldehyde, 4-ethoxy-3-methoxy,ethyl-vanillin,asischem n42243,4-ethoxy-3-methoxy-benzaldehyde,ethylvanillin?,4-ethoxyvanillin,vanillin ethyl ether,pubchem2648 PubChem CID: 67116 IUPAC Name: 4-ethoxy-3-methoxybenzaldehyde SMILES: CCOC1=C(C=C(C=C1)C=O)OC

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Specifications

PubChem CID	67116
CAS	120-25-2
MDL Number	MFCD00016614
SMILES	CCOC1=C(C=C(C=C1)C=O)OC
Synonym	4-ethoxy-3-anisaldehyde,4-ethoxy-m-anisaldehyde,benzaldehyde, 4-ethoxy-3-methoxy,ethyl-vanillin,asischem n42243,4-ethoxy-3-methoxy-benzaldehyde,ethylvanillin?,4-ethoxyvanillin,vanillin ethyl ether,pubchem2648
IUPAC Name	4-ethoxy-3-methoxybenzaldehyde
InChI Key	BERFDQAMXIBOHM-UHFFFAOYSA-N

2,107

4-chlorobenzylamine, 98%

CAS: 104-86-9 Molecular Formula: C₇H₈ClN Molecular Weight (g/mol): 141.6 MDL Number: MFCD00008121 InChI Key: YMVFJGSXZNNUDW-UHFFFAOYSA-N Synonym: 4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218 PubChem CID: 66036 IUPAC Name: (4-chlorophenyl)methanamine SMILES: C1=CC(=CC=C1CN)Cl

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Specifications

PubChem CID	66036
CAS	104-86-9
Molecular Weight (g/mol)	141.6
MDL Number	MFCD00008121
SMILES	C1=CC(=CC=C1CN)Cl
Synonym	4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218
IUPAC Name	(4-chlorophenyl)methanamine
InChI Key	YMVFJGSXZNNUDW-UHFFFAOYSA-N
Molecular Formula	C₇H₈ClN

2,108

4-Hydroxyphenylacetic acid, 98%

CAS: 156-38-7 Molecular Formula: C₈H₈O₃ Molecular Weight (g/mol): 152.15 MDL Number: MFCD00004347 InChI Key: XQXPVVBIMDBYFF-UHFFFAOYSA-N Synonym: 4-hydroxyphenylacetic acid,2-4-hydroxyphenyl acetic acid,p-hydroxyphenylacetic acid,4-hydroxyphenyl acetic acid,4-hydroxyphenylacetate,4-hydroxybenzeneacetic acid,benzeneacetic acid, 4-hydroxy,p-hydroxyphenyl acetic acid,parahydroxy phenylacetic acid,4-carboxymethylphenol PubChem CID: 127 ChEBI: CHEBI:18101 IUPAC Name: 2-(4-hydroxyphenyl)acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)O

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Specifications

PubChem CID	127
CAS	156-38-7
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:18101
MDL Number	MFCD00004347
SMILES	C1=CC(=CC=C1CC(=O)O)O
Synonym	4-hydroxyphenylacetic acid,2-4-hydroxyphenyl acetic acid,p-hydroxyphenylacetic acid,4-hydroxyphenyl acetic acid,4-hydroxyphenylacetate,4-hydroxybenzeneacetic acid,benzeneacetic acid, 4-hydroxy,p-hydroxyphenyl acetic acid,parahydroxy phenylacetic acid,4-carboxymethylphenol
IUPAC Name	2-(4-hydroxyphenyl)acetic acid
InChI Key	XQXPVVBIMDBYFF-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₃

2,109

2'-Acetonaphthone, 99%

CAS: 93-08-3 Molecular Formula: C₁₂H₁₀O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00004108 InChI Key: XSAYZAUNJMRRIR-UHFFFAOYSA-N Synonym: 2-acetylnaphthalene,2-acetonaphthone,2'-acetonaphthone,methyl 2-naphthyl ketone,acetonaphthone,1-naphthalen-2-yl ethanone,1-2-naphthyl ethanone,ethanone, 1-2-naphthalenyl,oranger cyrstals,2-naphthyl methyl ketone PubChem CID: 7122 ChEBI: CHEBI:52364 IUPAC Name: 1-naphthalen-2-ylethanone SMILES: CC(=O)C1=CC2=CC=CC=C2C=C1

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PubChem CID	7122
CAS	93-08-3
Molecular Weight (g/mol)	170.21
ChEBI	CHEBI:52364
MDL Number	MFCD00004108
SMILES	CC(=O)C1=CC2=CC=CC=C2C=C1
Synonym	2-acetylnaphthalene,2-acetonaphthone,2'-acetonaphthone,methyl 2-naphthyl ketone,acetonaphthone,1-naphthalen-2-yl ethanone,1-2-naphthyl ethanone,ethanone, 1-2-naphthalenyl,oranger cyrstals,2-naphthyl methyl ketone
IUPAC Name	1-naphthalen-2-ylethanone
InChI Key	XSAYZAUNJMRRIR-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₀O

2,110

m-Xylylenediamine, 99%

CAS: 1477-55-0 Molecular Formula: C₈H₁₂N₂ Molecular Weight (g/mol): 136.2 MDL Number: MFCD00008119 InChI Key: FDLQZKYLHJJBHD-UHFFFAOYSA-N Synonym: m-xylylenediamine,1,3-benzenedimethanamine,1,3-bis aminomethyl benzene,1,3-xylylenediamine,1,3-phenylenedimethanamine,m-xylylendiamin,1,3-xylenediamine,mxda,m-phenylenebis methylamine,methylamine, m-phenylenebis PubChem CID: 15133 IUPAC Name: [3-(aminomethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)CN)CN

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Specifications

PubChem CID	15133
CAS	1477-55-0
Molecular Weight (g/mol)	136.2
MDL Number	MFCD00008119
SMILES	C1=CC(=CC(=C1)CN)CN
Synonym	m-xylylenediamine,1,3-benzenedimethanamine,1,3-bis aminomethyl benzene,1,3-xylylenediamine,1,3-phenylenedimethanamine,m-xylylendiamin,1,3-xylenediamine,mxda,m-phenylenebis methylamine,methylamine, m-phenylenebis
IUPAC Name	[3-(aminomethyl)phenyl]methanamine
InChI Key	FDLQZKYLHJJBHD-UHFFFAOYSA-N
Molecular Formula	C₈H₁₂N₂

2,111

2-Bromoaniline, 98%

CAS: 615-36-1 Molecular Formula: C₆H₆BrN Molecular Weight (g/mol): 172.02 InChI Key: AOPBDRUWRLBSDB-UHFFFAOYSA-N PubChem CID: 11992 IUPAC Name: 2-bromoaniline SMILES: C1=CC=C(C(=C1)N)Br

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PubChem CID	11992
CAS	615-36-1
Molecular Weight (g/mol)	172.02
SMILES	C1=CC=C(C(=C1)N)Br
IUPAC Name	2-bromoaniline
InChI Key	AOPBDRUWRLBSDB-UHFFFAOYSA-N
Molecular Formula	C₆H₆BrN

2,112

Phenyl acetate, 97%

CAS: 122-79-2 Molecular Formula: C₈H₈O₂ Molecular Weight (g/mol): 136.15 MDL Number: MFCD00008699 InChI Key: IPBVNPXQWQGGJP-UHFFFAOYSA-N Synonym: acetic acid phenyl ester,phenol acetate,acetylphenol,acetic acid, phenyl ester,acetyl phenol,acetoxybenzene,acetates,acetic acid,phenyl ester,fenylester kyseliny octove,fenylester kyseliny octove czech PubChem CID: 31229 ChEBI: CHEBI:8082 IUPAC Name: phenyl acetate SMILES: CC(=O)OC1=CC=CC=C1

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Specifications

PubChem CID	31229
CAS	122-79-2
Molecular Weight (g/mol)	136.15
ChEBI	CHEBI:8082
MDL Number	MFCD00008699
SMILES	CC(=O)OC1=CC=CC=C1
Synonym	acetic acid phenyl ester,phenol acetate,acetylphenol,acetic acid, phenyl ester,acetyl phenol,acetoxybenzene,acetates,acetic acid,phenyl ester,fenylester kyseliny octove,fenylester kyseliny octove czech
IUPAC Name	phenyl acetate
InChI Key	IPBVNPXQWQGGJP-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₂

2,113

alpha-Bromo-p-xylene, 98%

CAS: 104-81-4 Molecular Formula: C₈H₉Br Molecular Weight (g/mol): 185.06 MDL Number: MFCD00000181 InChI Key: WZRKSPFYXUXINF-UHFFFAOYSA-N Synonym: 4-methylbenzyl bromide,1-bromomethyl-4-methylbenzene,p-xylyl bromide,p-methylbenzyl bromide,alpha-bromo-p-xylene,benzene, 1-bromomethyl-4-methyl,4-bromomethyl toluene,p-bromomethyl toluene,alpha-bromo-p-xylol,1-bromomethyl-4-methyl-benzene PubChem CID: 7721 IUPAC Name: 1-(bromomethyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)CBr

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PubChem CID	7721
CAS	104-81-4
Molecular Weight (g/mol)	185.06
MDL Number	MFCD00000181
SMILES	CC1=CC=C(C=C1)CBr
Synonym	4-methylbenzyl bromide,1-bromomethyl-4-methylbenzene,p-xylyl bromide,p-methylbenzyl bromide,alpha-bromo-p-xylene,benzene, 1-bromomethyl-4-methyl,4-bromomethyl toluene,p-bromomethyl toluene,alpha-bromo-p-xylol,1-bromomethyl-4-methyl-benzene
IUPAC Name	1-(bromomethyl)-4-methylbenzene
InChI Key	WZRKSPFYXUXINF-UHFFFAOYSA-N
Molecular Formula	C₈H₉Br

2,114

Tribenzylamine, 99+%

CAS: 620-40-6 Molecular Formula: C21H21N Molecular Weight (g/mol): 287.41 MDL Number: MFCD00004773 InChI Key: MXHTZQSKTCCMFG-UHFFFAOYSA-N Synonym: tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052 PubChem CID: 24321 IUPAC Name: N,N-dibenzyl-1-phenylmethanamine SMILES: C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	24321
CAS	620-40-6
Molecular Weight (g/mol)	287.41
MDL Number	MFCD00004773
SMILES	C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1
Synonym	tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052
IUPAC Name	N,N-dibenzyl-1-phenylmethanamine
InChI Key	MXHTZQSKTCCMFG-UHFFFAOYSA-N
Molecular Formula	C21H21N

2,115

4-Acetamidobenzoic acid, 99+%

CAS: 556-08-1 Molecular Formula: C₉H₉NO₃ Molecular Weight (g/mol): 179.17 MDL Number: MFCD00002534 InChI Key: QCXJEYYXVJIFCE-UHFFFAOYSA-N Synonym: acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid PubChem CID: 19266 ChEBI: CHEBI:46171 IUPAC Name: 4-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	19266
CAS	556-08-1
Molecular Weight (g/mol)	179.17
ChEBI	CHEBI:46171
MDL Number	MFCD00002534
SMILES	CC(=O)NC1=CC=C(C=C1)C(=O)O
Synonym	acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid
IUPAC Name	4-acetamidobenzoic acid
InChI Key	QCXJEYYXVJIFCE-UHFFFAOYSA-N
Molecular Formula	C₉H₉NO₃

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