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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.
Phenylmethylamines (12)
Trifluoromethylbenzenes (7)
Bromobenzenes (3)
Methoxybenzoic acids and derivatives (3)
Diphenylmethanes (2)

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1 – 12 of 12 results
1

Diphenylmethane, 99%

CAS: 101-81-5 Molecular Formula: C13H12 Molecular Weight (g/mol): 168.24 MDL Number: MFCD00004781 InChI Key: CZZYITDELCSZES-UHFFFAOYSA-N Synonym: diphenylmethane,ditan,ditane,benzene, 1,1'-methylenebis,diphenyl methane,benzene, benzyl,methane, diphenyl,1,1'-dimethylenebis benzene,benzene, phenylmethyl,methylenedibenzene PubChem CID: 7580 ChEBI: CHEBI:38884 IUPAC Name: benzylbenzene SMILES: C(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 7580
CAS 101-81-5
Molecular Weight (g/mol) 168.24
ChEBI CHEBI:38884
MDL Number MFCD00004781
SMILES C(C1=CC=CC=C1)C1=CC=CC=C1
Synonym diphenylmethane,ditan,ditane,benzene, 1,1'-methylenebis,diphenyl methane,benzene, benzyl,methane, diphenyl,1,1'-dimethylenebis benzene,benzene, phenylmethyl,methylenedibenzene
IUPAC Name benzylbenzene
InChI Key CZZYITDELCSZES-UHFFFAOYSA-N
Molecular Formula C13H12
2

3,5-Dimethoxy-4-methylbenzoic acid, 97%

CAS: 61040-81-1 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00017506 InChI Key: QIBMVRYNEXOCCF-UHFFFAOYSA-N Synonym: 3,5-dimethoxy-4-methyl-benzoic acid,benzoic acid,3,5-dimethoxy-4-methyl,3,5-dimethoxy-4-methylbenzoicacid,acmc-1b58y,3,5-dimethoxy4-methylbenzoic acid,4-methyl-3,5-dimethoxybenzoic acid,3,5-dimethoxy-p-toluic acid,labotest-bb lt00455447,3,5-dimethoxy-4-methyl benzoic acid,3,5-di-methoxy-4-methyl-benzoic acid PubChem CID: 3764486 IUPAC Name: 3,5-dimethoxy-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1OC)C(=O)O)OC

PubChem CID 3764486
CAS 61040-81-1
Molecular Weight (g/mol) 196.202
MDL Number MFCD00017506
SMILES CC1=C(C=C(C=C1OC)C(=O)O)OC
Synonym 3,5-dimethoxy-4-methyl-benzoic acid,benzoic acid,3,5-dimethoxy-4-methyl,3,5-dimethoxy-4-methylbenzoicacid,acmc-1b58y,3,5-dimethoxy4-methylbenzoic acid,4-methyl-3,5-dimethoxybenzoic acid,3,5-dimethoxy-p-toluic acid,labotest-bb lt00455447,3,5-dimethoxy-4-methyl benzoic acid,3,5-di-methoxy-4-methyl-benzoic acid
IUPAC Name 3,5-dimethoxy-4-methylbenzoic acid
InChI Key QIBMVRYNEXOCCF-UHFFFAOYSA-N
Molecular Formula C10H12O4
3

5-Bromo-2-fluorobenzylamine hydrochloride, 97%

CAS: 202865-69-8 Molecular Formula: C7H8BrFN Molecular Weight (g/mol): 205.05 MDL Number: MFCD00143426 InChI Key: PDKBJZGGXHTHNC-UHFFFAOYSA-O Synonym: 5-bromo-2-fluorobenzylamine hydrochloride,5-bromo-2-fluorophenyl methanamine hydrochloride,5-bromo-2-fluorobenzylamine hcl,5-bromo-2-fluorophenyl methanamine hcl,1-5-bromo-2-fluorophenyl methanamine hydrochloride,pubchem3227,acmc-1cpb5,rarechem al bd 0325,akos bbv-005136,5-bromo-2-fluorobenzyl amine hcl PubChem CID: 2724903 SMILES: [NH3+]CC1=CC(Br)=CC=C1F

PubChem CID 2724903
CAS 202865-69-8
Molecular Weight (g/mol) 205.05
MDL Number MFCD00143426
SMILES [NH3+]CC1=CC(Br)=CC=C1F
Synonym 5-bromo-2-fluorobenzylamine hydrochloride,5-bromo-2-fluorophenyl methanamine hydrochloride,5-bromo-2-fluorobenzylamine hcl,5-bromo-2-fluorophenyl methanamine hcl,1-5-bromo-2-fluorophenyl methanamine hydrochloride,pubchem3227,acmc-1cpb5,rarechem al bd 0325,akos bbv-005136,5-bromo-2-fluorobenzyl amine hcl
InChI Key PDKBJZGGXHTHNC-UHFFFAOYSA-O
Molecular Formula C7H8BrFN
4

Benzyltrimethylammonium hydroxide, 40% w/w in methanol

CAS: 100-85-6 Molecular Formula: C10H17NO Molecular Weight (g/mol): 167.252 MDL Number: MFCD00008281 InChI Key: NDKBVBUGCNGSJJ-UHFFFAOYSA-M Synonym: benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide PubChem CID: 66854 IUPAC Name: benzyl(trimethyl)azanium;hydroxide SMILES: C[N+](C)(C)CC1=CC=CC=C1.[OH-]

PubChem CID 66854
CAS 100-85-6
Molecular Weight (g/mol) 167.252
MDL Number MFCD00008281
SMILES C[N+](C)(C)CC1=CC=CC=C1.[OH-]
Synonym benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide
IUPAC Name benzyl(trimethyl)azanium;hydroxide
InChI Key NDKBVBUGCNGSJJ-UHFFFAOYSA-M
Molecular Formula C10H17NO
5

2-(Trifluoromethoxy)benzylamine, 97%, Thermo Scientific™

CAS: 175205-64-8 Molecular Formula: C8H9F3NO Molecular Weight (g/mol): 192.16 MDL Number: MFCD00085176 InChI Key: FYXMMFFZMQMXCQ-UHFFFAOYSA-O Synonym: 2-trifluoromethoxy benzylamine,2-trifluoromethoxy phenyl methanamine,2-trifluoromethoxybenzylamine,o-trifluoromethoxybenzyl amine,1-2-trifluoromethoxy phenyl methanamine,2-trifluormethoxybenzylamine,benzenemethanamine, 2-trifluoromethoxy,2-trifluoromethoxy phenyl methylamine,pubchem4432 PubChem CID: 2777251 IUPAC Name: [2-(trifluoromethoxy)phenyl]methanamine SMILES: [NH3+]CC1=CC=CC=C1OC(F)(F)F

PubChem CID 2777251
CAS 175205-64-8
Molecular Weight (g/mol) 192.16
MDL Number MFCD00085176
SMILES [NH3+]CC1=CC=CC=C1OC(F)(F)F
Synonym 2-trifluoromethoxy benzylamine,2-trifluoromethoxy phenyl methanamine,2-trifluoromethoxybenzylamine,o-trifluoromethoxybenzyl amine,1-2-trifluoromethoxy phenyl methanamine,2-trifluormethoxybenzylamine,benzenemethanamine, 2-trifluoromethoxy,2-trifluoromethoxy phenyl methylamine,pubchem4432
IUPAC Name [2-(trifluoromethoxy)phenyl]methanamine
InChI Key FYXMMFFZMQMXCQ-UHFFFAOYSA-O
Molecular Formula C8H9F3NO
6

4-Fluoro-2-(trifluoromethyl)benzylamine, 97%, Thermo Scientific™

CAS: 202522-22-3 Molecular Formula: C8H8F4N Molecular Weight (g/mol): 194.15 MDL Number: MFCD00061164 InChI Key: BLQGRYYLPWCHMA-UHFFFAOYSA-O PubChem CID: 2734878 SMILES: [NH3+]CC1=CC=C(F)C=C1C(F)(F)F

PubChem CID 2734878
CAS 202522-22-3
Molecular Weight (g/mol) 194.15
MDL Number MFCD00061164
SMILES [NH3+]CC1=CC=C(F)C=C1C(F)(F)F
InChI Key BLQGRYYLPWCHMA-UHFFFAOYSA-O
Molecular Formula C8H8F4N
7

2,6-Difluorobenzylamine, 97+%, Thermo Scientific™

CAS: 69385-30-4 Molecular Formula: C7H8F2N Molecular Weight (g/mol): 144.14 MDL Number: MFCD00010144 InChI Key: PQCUDKMMPTXMAL-UHFFFAOYSA-O PubChem CID: 123563 SMILES: [NH3+]CC1=C(F)C=CC=C1F

PubChem CID 123563
CAS 69385-30-4
Molecular Weight (g/mol) 144.14
MDL Number MFCD00010144
SMILES [NH3+]CC1=C(F)C=CC=C1F
InChI Key PQCUDKMMPTXMAL-UHFFFAOYSA-O
Molecular Formula C7H8F2N
8

2-Fluoro-5-(trifluoromethyl)benzylamine, 97%, Thermo Scientific™

CAS: 199296-61-2 Molecular Formula: C8H8F4N Molecular Weight (g/mol): 194.15 MDL Number: MFCD00061162 InChI Key: WIQWADYBGSRGCF-UHFFFAOYSA-O Synonym: 2-fluoro-5-trifluoromethyl benzylamine,2-fluoro-5-trifluoromethyl phenyl methanamine,2-fluoro-5-trifluoromethyl benzyl amine,2-fluoro-5-trifluoromethylbenzylamine,2-floro-5-trifluoromethyl benzylamine,benzenemethanamine, 2-fluoro-5-trifluoromethyl,2-fluoro-5-trifluoromethyl phenyl methylamine,1-2-fluoro-5-trifluoromethyl phenyl methanamine,pubchem4422 PubChem CID: 533839 IUPAC Name: [2-fluoro-5-(trifluoromethyl)phenyl]methanamine SMILES: [NH3+]CC1=CC(=CC=C1F)C(F)(F)F

PubChem CID 533839
CAS 199296-61-2
Molecular Weight (g/mol) 194.15
MDL Number MFCD00061162
SMILES [NH3+]CC1=CC(=CC=C1F)C(F)(F)F
Synonym 2-fluoro-5-trifluoromethyl benzylamine,2-fluoro-5-trifluoromethyl phenyl methanamine,2-fluoro-5-trifluoromethyl benzyl amine,2-fluoro-5-trifluoromethylbenzylamine,2-floro-5-trifluoromethyl benzylamine,benzenemethanamine, 2-fluoro-5-trifluoromethyl,2-fluoro-5-trifluoromethyl phenyl methylamine,1-2-fluoro-5-trifluoromethyl phenyl methanamine,pubchem4422
IUPAC Name [2-fluoro-5-(trifluoromethyl)phenyl]methanamine
InChI Key WIQWADYBGSRGCF-UHFFFAOYSA-O
Molecular Formula C8H8F4N
9

4-Fluoro-3-(trifluoromethyl)benzylamine, 94%, Thermo Scientific™

CAS: 67515-74-6 Molecular Formula: C8H8F4N Molecular Weight (g/mol): 194.15 MDL Number: MFCD00070814 InChI Key: HZDVQEUISWBXPV-UHFFFAOYSA-O Synonym: 4-fluoro-3-trifluoromethyl benzylamine,4-fluoro-3-trifluoromethyl phenyl methanamine,4-fluoro-3-trifluoromethyl benzyl amine,4-fluoro-3-trifluoromethylbenzylamine,4-fluoro-3-trifluoromethyl-benzylamine,benzenemethanamine, 4-fluoro-3-trifluoromethyl,4-fluoro-3-trifluoromethyl phenyl methylamine,1-4-fluoro-3-trifluoromethyl phenyl methanamine,rarechem al bw 0670 PubChem CID: 522270 IUPAC Name: [4-fluoro-3-(trifluoromethyl)phenyl]methanamine SMILES: [NH3+]CC1=CC=C(F)C(=C1)C(F)(F)F

PubChem CID 522270
CAS 67515-74-6
Molecular Weight (g/mol) 194.15
MDL Number MFCD00070814
SMILES [NH3+]CC1=CC=C(F)C(=C1)C(F)(F)F
Synonym 4-fluoro-3-trifluoromethyl benzylamine,4-fluoro-3-trifluoromethyl phenyl methanamine,4-fluoro-3-trifluoromethyl benzyl amine,4-fluoro-3-trifluoromethylbenzylamine,4-fluoro-3-trifluoromethyl-benzylamine,benzenemethanamine, 4-fluoro-3-trifluoromethyl,4-fluoro-3-trifluoromethyl phenyl methylamine,1-4-fluoro-3-trifluoromethyl phenyl methanamine,rarechem al bw 0670
IUPAC Name [4-fluoro-3-(trifluoromethyl)phenyl]methanamine
InChI Key HZDVQEUISWBXPV-UHFFFAOYSA-O
Molecular Formula C8H8F4N
10

2-Chloro-5-(trifluoromethyl)benzylamine, 97%, Thermo Scientific™

CAS: 15996-78-8 Molecular Formula: C8H8ClF3N Molecular Weight (g/mol): 210.60 MDL Number: MFCD00190123 InChI Key: XOCMZYUQWVACMA-UHFFFAOYSA-O Synonym: 2-chloro-5-trifluoromethyl benzylamine,2-chloro-5-trifluoromethyl phenyl methanamine,2-chloro-5-trifluoromethyl-benzylamine,2-chloro-5-trifluoromethylbenzylamine,2-chloro-5-trifluoromethylbenzyl amine,2-chloro-5-trifluoromethyl benzyl amine,2-chloro-5-trifluoromethyl phenyl methylamine,1-2-chloro-5-trifluoromethyl phenyl methanamine,pubchem4392,rarechem al bw 0385 PubChem CID: 2736682 SMILES: [NH3+]CC1=CC(=CC=C1Cl)C(F)(F)F

PubChem CID 2736682
CAS 15996-78-8
Molecular Weight (g/mol) 210.60
MDL Number MFCD00190123
SMILES [NH3+]CC1=CC(=CC=C1Cl)C(F)(F)F
Synonym 2-chloro-5-trifluoromethyl benzylamine,2-chloro-5-trifluoromethyl phenyl methanamine,2-chloro-5-trifluoromethyl-benzylamine,2-chloro-5-trifluoromethylbenzylamine,2-chloro-5-trifluoromethylbenzyl amine,2-chloro-5-trifluoromethyl benzyl amine,2-chloro-5-trifluoromethyl phenyl methylamine,1-2-chloro-5-trifluoromethyl phenyl methanamine,pubchem4392,rarechem al bw 0385
InChI Key XOCMZYUQWVACMA-UHFFFAOYSA-O
Molecular Formula C8H8ClF3N
11

(S)-(-)-1-(4-Bromophenyl)ethylamine, ChiPros, 99%, ee 98%

CAS: 27298-97-1 Molecular Formula: C8H11BrN Molecular Weight (g/mol): 201.09 MDL Number: MFCD00066026 InChI Key: SOZMSEPDYJGBEK-LURJTMIESA-O Synonym: s---1-4-bromophenyl ethylamine,s-1-4-bromophenyl ethanamine,s---4-bromo-alpha-phenylethylamine,s-1-4-bromophenyl ethylamine,1s-1-4-bromophenyl ethanamine,s-1-4-bromophenyl-ethylamine,1s-1-4-bromophenyl ethan-1-amine,s---1-4-bromo-phenyl-ethylamine,benzenemethanamine,4-bromo-a-methyl-, as,s-1-4-bromophenyl ethanamine-hcl PubChem CID: 852999 SMILES: C[C@H]([NH3+])C1=CC=C(Br)C=C1

PubChem CID 852999
CAS 27298-97-1
Molecular Weight (g/mol) 201.09
MDL Number MFCD00066026
SMILES C[C@H]([NH3+])C1=CC=C(Br)C=C1
Synonym s---1-4-bromophenyl ethylamine,s-1-4-bromophenyl ethanamine,s---4-bromo-alpha-phenylethylamine,s-1-4-bromophenyl ethylamine,1s-1-4-bromophenyl ethanamine,s-1-4-bromophenyl-ethylamine,1s-1-4-bromophenyl ethan-1-amine,s---1-4-bromo-phenyl-ethylamine,benzenemethanamine,4-bromo-a-methyl-, as,s-1-4-bromophenyl ethanamine-hcl
InChI Key SOZMSEPDYJGBEK-LURJTMIESA-O
Molecular Formula C8H11BrN
12

2,6-Difluorobenzylamine, 97%, ACROS Organics™

CAS: 69385-30-4 Molecular Formula: C7H8F2N Molecular Weight (g/mol): 144.14 MDL Number: MFCD00010144 InChI Key: PQCUDKMMPTXMAL-UHFFFAOYSA-O PubChem CID: 123563 IUPAC Name: (2,6-difluorophenyl)methanaminium SMILES: [NH3+]CC1=C(F)C=CC=C1F

PubChem CID 123563
CAS 69385-30-4
Molecular Weight (g/mol) 144.14
MDL Number MFCD00010144
SMILES [NH3+]CC1=C(F)C=CC=C1F
IUPAC Name (2,6-difluorophenyl)methanaminium
InChI Key PQCUDKMMPTXMAL-UHFFFAOYSA-O
Molecular Formula C7H8F2N