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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.
Benzene and substituted derivatives (179)
Phenols (20)
Naphthalenes (12)
Fluorenes (4)
Phenanthrenes and derivatives (2)
Unsubstituted Phenols (1)

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1 – 15 of 184 results
1

Benzophenone Imine, Sigma-Aldrich

CAS: 1013-88-3 Molecular Weight (g/mol): 181.23 g/mol

CAS 1013-88-3
Molecular Weight (g/mol) 181.23 g/mol
2

Benzophenone Imine 95.0+%, TCI America™

CAS: 1013-88-3 Molecular Formula: C13H11N Molecular Weight (g/mol): 181.238 MDL Number: MFCD00001760 InChI Key: SXZIXHOMFPUIRK-UHFFFAOYSA-N Synonym: benzophenone imine,benzophenoneimine,benzhydrylideneamine,1,1-diphenylmethanimine,unii-ejj21na7vi,benzhydrylimine,benzophenonimine,diphenylmethanimineimine,1,1-diphenylmethylimine,benzenemethanimine, .alpha.-phenyl PubChem CID: 136809 IUPAC Name: diphenylmethanimine SMILES: C1=CC=C(C=C1)C(=N)C2=CC=CC=C2

PubChem CID 136809
CAS 1013-88-3
Molecular Weight (g/mol) 181.238
MDL Number MFCD00001760
SMILES C1=CC=C(C=C1)C(=N)C2=CC=CC=C2
Synonym benzophenone imine,benzophenoneimine,benzhydrylideneamine,1,1-diphenylmethanimine,unii-ejj21na7vi,benzhydrylimine,benzophenonimine,diphenylmethanimineimine,1,1-diphenylmethylimine,benzenemethanimine, .alpha.-phenyl
IUPAC Name diphenylmethanimine
InChI Key SXZIXHOMFPUIRK-UHFFFAOYSA-N
Molecular Formula C13H11N
3

3-Nitrophenoxyacetic Acid 98.0+%, TCI America™

CAS: 1878-88-2 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00059826 InChI Key: BNRRQAASFDGMMQ-UHFFFAOYSA-N Synonym: 3-nitrophenoxyacetic acid,3-nitrophenoxy acetic acid,2-3-nitrophenoxy acetic acid,m-nitrophenoxyacetic acid,3-nitrophenoxy-acetic acid,acmc-209eqk,3-nitrophenoxyaceticacid,3-nitro-phenoxy-acetic acid PubChem CID: 74656 SMILES: C1=CC(=CC(=C1)OCC(=O)O)[N+](=O)[O-]

PubChem CID 74656
CAS 1878-88-2
Molecular Weight (g/mol) 197.146
MDL Number MFCD00059826
SMILES C1=CC(=CC(=C1)OCC(=O)O)[N+](=O)[O-]
Synonym 3-nitrophenoxyacetic acid,3-nitrophenoxy acetic acid,2-3-nitrophenoxy acetic acid,m-nitrophenoxyacetic acid,3-nitrophenoxy-acetic acid,acmc-209eqk,3-nitrophenoxyaceticacid,3-nitro-phenoxy-acetic acid
InChI Key BNRRQAASFDGMMQ-UHFFFAOYSA-N
Molecular Formula C8H7NO5
4

3,5-Difluorobenzaldehyde 98.0+%, TCI America™

CAS: 32085-88-4 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010329 InChI Key: ASOFZHSTJHGQDT-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone PubChem CID: 588160 IUPAC Name: 3,5-difluorobenzaldehyde SMILES: C1=C(C=C(C=C1F)F)C=O

PubChem CID 588160
CAS 32085-88-4
Molecular Weight (g/mol) 142.105
MDL Number MFCD00010329
SMILES C1=C(C=C(C=C1F)F)C=O
Synonym benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone
IUPAC Name 3,5-difluorobenzaldehyde
InChI Key ASOFZHSTJHGQDT-UHFFFAOYSA-N
Molecular Formula C7H4F2O
5

2-Bromobenzoic Acid 98.0+%, TCI America™

CAS: 88-65-3 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD00002402 InChI Key: XRXMNWGCKISMOH-UHFFFAOYSA-N Synonym: o-bromobenzoic acid,benzoic acid, 2-bromo,bromobenzoic acid,benzoic acid, o-bromo,2-bromo-benzoic acid,benzoic acid, bromo,unii-az789tzs4l,az789tzs4l,ortho-bromobenzoic acid,attercop-chm at111657 PubChem CID: 6940 IUPAC Name: 2-bromobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)Br

PubChem CID 6940
CAS 88-65-3
Molecular Weight (g/mol) 201.019
MDL Number MFCD00002402
SMILES C1=CC=C(C(=C1)C(=O)O)Br
Synonym o-bromobenzoic acid,benzoic acid, 2-bromo,bromobenzoic acid,benzoic acid, o-bromo,2-bromo-benzoic acid,benzoic acid, bromo,unii-az789tzs4l,az789tzs4l,ortho-bromobenzoic acid,attercop-chm at111657
IUPAC Name 2-bromobenzoic acid
InChI Key XRXMNWGCKISMOH-UHFFFAOYSA-N
Molecular Formula C7H5BrO2
6

3-Bromo-2-naphthol 96.0+%, TCI America™

CAS: 30478-88-7 Molecular Formula: C10H7BrO Molecular Weight (g/mol): 223.07 MDL Number: MFCD10000951 InChI Key: PQVIOPAWVAOHOA-UHFFFAOYSA-N PubChem CID: 45943 IUPAC Name: 3-bromonaphthalen-2-ol SMILES: OC1=CC2=CC=CC=C2C=C1Br

PubChem CID 45943
CAS 30478-88-7
Molecular Weight (g/mol) 223.07
MDL Number MFCD10000951
SMILES OC1=CC2=CC=CC=C2C=C1Br
IUPAC Name 3-bromonaphthalen-2-ol
InChI Key PQVIOPAWVAOHOA-UHFFFAOYSA-N
Molecular Formula C10H7BrO
7

3-Chloro-4-nitrotoluene 98.0+%, TCI America™

CAS: 38939-88-7 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD02683043 InChI Key: KGSQRFPDZCBVBS-UHFFFAOYSA-N Synonym: 3-chloro-4-nitrotoluene,2-chloro-4-methyl-1-nitro-benzene,benzene, 2-chloro-4-methyl-1-nitro,pubchem4534,acmc-1afh8,ksc493s6j PubChem CID: 123478 IUPAC Name: 2-chloro-4-methyl-1-nitrobenzene SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])Cl

PubChem CID 123478
CAS 38939-88-7
Molecular Weight (g/mol) 171.58
MDL Number MFCD02683043
SMILES CC1=CC(=C(C=C1)[N+](=O)[O-])Cl
Synonym 3-chloro-4-nitrotoluene,2-chloro-4-methyl-1-nitro-benzene,benzene, 2-chloro-4-methyl-1-nitro,pubchem4534,acmc-1afh8,ksc493s6j
IUPAC Name 2-chloro-4-methyl-1-nitrobenzene
InChI Key KGSQRFPDZCBVBS-UHFFFAOYSA-N
Molecular Formula C7H6ClNO2
8

3-Iodobenzylamine Hydrochloride 98.0+%, TCI America™

CAS: 3718-88-5 Molecular Formula: C7H9ClIN Molecular Weight (g/mol): 269.51 MDL Number: MFCD00012857 InChI Key: PYFDZOCGFHIRST-UHFFFAOYSA-N Synonym: 3-iodobenzylamine hydrochloride,3-iodophenyl methanamine hydrochloride,3-iodobenzylamine hcl,3-iodobenzylaminehydrochloride,benzenemethanamine, 3-iodo-, hydrochloride,1-3-iodophenyl methanamine hydrochloride,pubchem3302,acmc-1cmc7,3-iodobenzylamine hcl salt,ksc491e3h PubChem CID: 2723861 IUPAC Name: (3-iodophenyl)methanamine;hydrochloride SMILES: C1=CC(=CC(=C1)I)CN.Cl

PubChem CID 2723861
CAS 3718-88-5
Molecular Weight (g/mol) 269.51
MDL Number MFCD00012857
SMILES C1=CC(=CC(=C1)I)CN.Cl
Synonym 3-iodobenzylamine hydrochloride,3-iodophenyl methanamine hydrochloride,3-iodobenzylamine hcl,3-iodobenzylaminehydrochloride,benzenemethanamine, 3-iodo-, hydrochloride,1-3-iodophenyl methanamine hydrochloride,pubchem3302,acmc-1cmc7,3-iodobenzylamine hcl salt,ksc491e3h
IUPAC Name (3-iodophenyl)methanamine;hydrochloride
InChI Key PYFDZOCGFHIRST-UHFFFAOYSA-N
Molecular Formula C7H9ClIN
9

3,4,5-Trimethoxyaniline 98.0+%, TCI America™

CAS: 24313-88-0 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.207 MDL Number: MFCD00008393 InChI Key: XEFRNCLPPFDWAC-UHFFFAOYSA-N Synonym: benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline PubChem CID: 32285 IUPAC Name: 3,4,5-trimethoxyaniline SMILES: COC1=CC(=CC(=C1OC)OC)N

PubChem CID 32285
CAS 24313-88-0
Molecular Weight (g/mol) 183.207
MDL Number MFCD00008393
SMILES COC1=CC(=CC(=C1OC)OC)N
Synonym benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline
IUPAC Name 3,4,5-trimethoxyaniline
InChI Key XEFRNCLPPFDWAC-UHFFFAOYSA-N
Molecular Formula C9H13NO3
10

1-Fluoro-3-iodo-5-nitrobenzene 98.0+%, TCI America™

CAS: 3819-88-3 Molecular Formula: C6H3FINO2 Molecular Weight (g/mol): 266.998 MDL Number: MFCD00007219 InChI Key: MXPYCSFCKXSPAB-UHFFFAOYSA-N Synonym: 3-fluoro-5-iodonitrobenzene,benzene, 1-fluoro-3-iodo-5-nitro,acmc-1cr1w,5-fluoro-3-nitroiodobenzene,ksc495i2h,1-iodo-3-fluoro-5-nitrobenzene,1-fluoro-3-iodo-5-nitro-benzene,1-fluoro-3-iodo-5-nitrobenzene PubChem CID: 259086 IUPAC Name: 1-fluoro-3-iodo-5-nitrobenzene SMILES: C1=C(C=C(C=C1F)I)[N+](=O)[O-]

PubChem CID 259086
CAS 3819-88-3
Molecular Weight (g/mol) 266.998
MDL Number MFCD00007219
SMILES C1=C(C=C(C=C1F)I)[N+](=O)[O-]
Synonym 3-fluoro-5-iodonitrobenzene,benzene, 1-fluoro-3-iodo-5-nitro,acmc-1cr1w,5-fluoro-3-nitroiodobenzene,ksc495i2h,1-iodo-3-fluoro-5-nitrobenzene,1-fluoro-3-iodo-5-nitro-benzene,1-fluoro-3-iodo-5-nitrobenzene
IUPAC Name 1-fluoro-3-iodo-5-nitrobenzene
InChI Key MXPYCSFCKXSPAB-UHFFFAOYSA-N
Molecular Formula C6H3FINO2
11

2-Chloro-6-methoxytoluene 96.0+%, TCI America™

CAS: 3260-88-6 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00070772 InChI Key: LTVRGAWOEOKGJZ-UHFFFAOYSA-N Synonym: 3-chloro-2-methylanisole,2-methyl-3-chloroanisole,2-chloro-6-methoxytoluene,benzene, 1-chloro-3-methoxy-2-methyl,2-methoxy-6-chlorotoluene,1-chloro-3-methoxy-2-methyl-benzene,pubchem2664,acmc-1cq3o,ltvrgawoeokgjz-uhfffaoysa PubChem CID: 76749 IUPAC Name: 1-chloro-3-methoxy-2-methylbenzene SMILES: COC1=CC=CC(Cl)=C1C

PubChem CID 76749
CAS 3260-88-6
Molecular Weight (g/mol) 156.61
MDL Number MFCD00070772
SMILES COC1=CC=CC(Cl)=C1C
Synonym 3-chloro-2-methylanisole,2-methyl-3-chloroanisole,2-chloro-6-methoxytoluene,benzene, 1-chloro-3-methoxy-2-methyl,2-methoxy-6-chlorotoluene,1-chloro-3-methoxy-2-methyl-benzene,pubchem2664,acmc-1cq3o,ltvrgawoeokgjz-uhfffaoysa
IUPAC Name 1-chloro-3-methoxy-2-methylbenzene
InChI Key LTVRGAWOEOKGJZ-UHFFFAOYSA-N
Molecular Formula C8H9ClO
12

Ethyl 3-Bromobenzoate 98.0+%, TCI America™

CAS: 24398-88-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00013529 InChI Key: QAUASTLEZAPQTB-UHFFFAOYSA-N Synonym: ethyl3-bromobenzoate,3-bromobenzoic acid ethyl ester,benzoic acid, 3-bromo-, ethyl ester,ethyl-3-bromobenzoate,benzoic acid, m-bromo-, ethyl ester,m-bromo benzoic acid ethyl ester,m-bromobenzoic acid, ethyl ester,pubchem3941,acmc-209gbv,ethyl 3-bromobenzoate PubChem CID: 90488 IUPAC Name: ethyl 3-bromobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)Br

PubChem CID 90488
CAS 24398-88-7
Molecular Weight (g/mol) 229.073
MDL Number MFCD00013529
SMILES CCOC(=O)C1=CC(=CC=C1)Br
Synonym ethyl3-bromobenzoate,3-bromobenzoic acid ethyl ester,benzoic acid, 3-bromo-, ethyl ester,ethyl-3-bromobenzoate,benzoic acid, m-bromo-, ethyl ester,m-bromo benzoic acid ethyl ester,m-bromobenzoic acid, ethyl ester,pubchem3941,acmc-209gbv,ethyl 3-bromobenzoate
IUPAC Name ethyl 3-bromobenzoate
InChI Key QAUASTLEZAPQTB-UHFFFAOYSA-N
Molecular Formula C9H9BrO2
13

2,3,5-Triiodobenzoic Acid 98.0+%, TCI America™

CAS: 88-82-4 Molecular Formula: C7H3I3O2 Molecular Weight (g/mol): 499.81 MDL Number: MFCD00002420 InChI Key: ZMZGFLUUZLELNE-UHFFFAOYSA-N Synonym: floraltone,tiba,triiodobenzoic acid,johnkolor,benzoic acid, 2,3,5-triiodo,2,3,5-tiba,caswell no. 890a,triiodobenzoic acid van,regin 8,kyselina 2,3,5-trijodbenzoova PubChem CID: 6948 ChEBI: CHEBI:73175 IUPAC Name: 2,3,5-triiodobenzoic acid SMILES: OC(=O)C1=CC(I)=CC(I)=C1I

PubChem CID 6948
CAS 88-82-4
Molecular Weight (g/mol) 499.81
ChEBI CHEBI:73175
MDL Number MFCD00002420
SMILES OC(=O)C1=CC(I)=CC(I)=C1I
Synonym floraltone,tiba,triiodobenzoic acid,johnkolor,benzoic acid, 2,3,5-triiodo,2,3,5-tiba,caswell no. 890a,triiodobenzoic acid van,regin 8,kyselina 2,3,5-trijodbenzoova
IUPAC Name 2,3,5-triiodobenzoic acid
InChI Key ZMZGFLUUZLELNE-UHFFFAOYSA-N
Molecular Formula C7H3I3O2
14

3,5-Dimethoxybenzyl Bromide 97.0+%, TCI America™

CAS: 877-88-3 Molecular Formula: C9H11BrO2 Molecular Weight (g/mol): 231.089 MDL Number: MFCD01321368 InChI Key: BTHIGJGJAPYFSJ-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzyl bromide,1-bromomethyl-3,5-dimethoxybenzene,3,5-dimethoxybenzylbromide,benzene, 1-bromomethyl-3,5-dimethoxy,3,5-dimethoxy benzyl bromide,alpha-bromo-3,5-dimethoxytoluene,5-bromomethyl-1,3-dimethoxybenzene,5-bromomethyl resorcinol dimethyl ether,pubchem13588,acmc-209qq1 PubChem CID: 1274490 IUPAC Name: 1-(bromomethyl)-3,5-dimethoxybenzene SMILES: COC1=CC(=CC(=C1)CBr)OC

PubChem CID 1274490
CAS 877-88-3
Molecular Weight (g/mol) 231.089
MDL Number MFCD01321368
SMILES COC1=CC(=CC(=C1)CBr)OC
Synonym 3,5-dimethoxybenzyl bromide,1-bromomethyl-3,5-dimethoxybenzene,3,5-dimethoxybenzylbromide,benzene, 1-bromomethyl-3,5-dimethoxy,3,5-dimethoxy benzyl bromide,alpha-bromo-3,5-dimethoxytoluene,5-bromomethyl-1,3-dimethoxybenzene,5-bromomethyl resorcinol dimethyl ether,pubchem13588,acmc-209qq1
IUPAC Name 1-(bromomethyl)-3,5-dimethoxybenzene
InChI Key BTHIGJGJAPYFSJ-UHFFFAOYSA-N
Molecular Formula C9H11BrO2
15

3,5-Dibromobenzyl Bromide 95.0+%, TCI America™

CAS: 56908-88-4 Molecular Formula: C7H5Br3 Molecular Weight (g/mol): 328.83 MDL Number: MFCD00052415 InChI Key: PWTFRUXTAFBWBW-UHFFFAOYSA-N Synonym: 3,5-dibromobenzyl bromide,1,3-dibromo-5-bromomethyl benzene,benzene, 1,3-dibromo-5-bromomethyl,alpha,3,5-tribromotoluene,acmc-20andg,3,5-dibromobenzylbromide,3,5-dibromo benzyl bromide,1,3-bis bromanyl-5-bromomethyl benzene PubChem CID: 143427 IUPAC Name: 1,3-dibromo-5-(bromomethyl)benzene SMILES: BrCC1=CC(Br)=CC(Br)=C1

PubChem CID 143427
CAS 56908-88-4
Molecular Weight (g/mol) 328.83
MDL Number MFCD00052415
SMILES BrCC1=CC(Br)=CC(Br)=C1
Synonym 3,5-dibromobenzyl bromide,1,3-dibromo-5-bromomethyl benzene,benzene, 1,3-dibromo-5-bromomethyl,alpha,3,5-tribromotoluene,acmc-20andg,3,5-dibromobenzylbromide,3,5-dibromo benzyl bromide,1,3-bis bromanyl-5-bromomethyl benzene
IUPAC Name 1,3-dibromo-5-(bromomethyl)benzene
InChI Key PWTFRUXTAFBWBW-UHFFFAOYSA-N
Molecular Formula C7H5Br3