Benzene and substituted derivatives
Ethyl trans-beta-methylcinnamate, 97%
CAS: 1504-72-9 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00053762 InChI Key: BSXHSWOMMFBMLL-MDZDMXLPSA-N Synonym: e-ethyl 3-phenylbut-2-enoate,ethyl 3-phenylbut-2-enoate,ethyl 3-phenylcrotonate,ethyl 2e-3-phenylbut-2-enoate,ethyl trans-beta-methylcinnamate,ethyl e-3-phenylbut-2-enoate,ethyl e-3-phenyl-2-butenoate,ethyl trans-,a-methylcinnamate,2-butenoic acid, 3-phenyl-, ethyl ester,cinnamic acid, .beta.-methyl-, ethyl ester PubChem CID: 5354836 IUPAC Name: ethyl (E)-3-phenylbut-2-enoate SMILES: CCOC(=O)C=C(C)C1=CC=CC=C1
alpha,4-Dimethylstyrene, stab. with 4-tert-butylcatechol
CAS: 1195-32-0 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.21 MDL Number: MFCD00036510 InChI Key: MMSLOZQEMPDGPI-UHFFFAOYSA-N Synonym: 1-methyl-4-prop-1-en-2-yl benzene,dehydro-p-cymene,2-p-tolylpropene,4-isopropenyltoluene,4-methylisopropenylbenzene,2-p-methylphenyl propene,p-cymenene,p,alpha-dimethylstyrene,p-alpha-dimethylstyrene,1-isopropenyl-4-methylbenzene PubChem CID: 62385 SMILES: CC(=C)C1=CC=C(C)C=C1
Methyl 3-(trifluoromethyl)benzoate, 97%
CAS: 2557-13-3 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD00043543 InChI Key: QQHNNQCWKYFNAC-UHFFFAOYSA-N Synonym: methyl 3-trifluoromethyl benzoate,3-carbomethoxybenzotrifluoride,3-trifluoromethyl benzoic acid methyl ester,methyl3-trifluoromethyl benzoate,methyl m-trifluoromethyl benzoate,3-trifluoromethyl-benzoic aic methyl ester,mtf-bom,methyl m-trifluoromethylbenzoate,3-methoxycarbonyl benzotrifluoride PubChem CID: 520213 IUPAC Name: methyl 3-(trifluoromethyl)benzoate SMILES: COC(=O)C1=CC(=CC=C1)C(F)(F)F
2-Chloro-6-nitro-4-(trifluoromethyl)aniline, 97%
CAS: 57729-79-0 Molecular Formula: C7H4ClF3N2O2 Molecular Weight (g/mol): 240.566 MDL Number: MFCD00042153 InChI Key: JLWRJMVXRUKFPA-UHFFFAOYSA-N Synonym: 2-chloro-6-nitro-4-trifluoromethyl aniline,4-amino-3-chloro-5-nitrobenzotrifluoride,6-chloro-2-nitro-4-trifluoromethyl phenylamine,pubchem2811,2-chloro-4-trifluoromethyl-6-nitroaniline,4-amino-3-chloro-5-nitro-benzotrifluoride,2-chloranyl-6-nitro-4-trifluoromethyl aniline,2-chloro-6-nitro-4-trifluoromethyl-phenylamine,2-chloro-6-nitro-4-trifluoromethyl phenylamine PubChem CID: 2734081 IUPAC Name: 2-chloro-6-nitro-4-(trifluoromethyl)aniline SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)C(F)(F)F
2,5-Dichlorobenzotrifluoride, 98%
CAS: 320-50-3 Molecular Formula: C7H3Cl2F3 Molecular Weight (g/mol): 214.996 MDL Number: MFCD00000608 InChI Key: DYBYUWVMLBBEMA-UHFFFAOYSA-N Synonym: 2,5-dichlorobenzotrifluoride,1,4-dichloro-2-trifluoromethyl benzene,benzene, 1,4-dichloro-2-trifluoromethyl,2,5-dichloro-alpha,alpha,alpha-trifluorotoluene,2,5-dichloro-a,a,a-trifluorotoluene,toluene, 2,5-dichloro-alpha,alpha,alpha-trifluoro-6ci,7ci,8ci,pubchem3450,ksc925c7r,2,5-dichloro trifluoromethylbenzene PubChem CID: 35360 IUPAC Name: 1,4-dichloro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)Cl
2-Fluoro-6-(trifluoromethyl)benzyl bromide, 95%, Thermo Scientific™
CAS: 239087-08-2 Molecular Formula: C8H5BrF4 Molecular Weight (g/mol): 257.03 InChI Key: RINUERVPFANASB-UHFFFAOYSA-N Synonym: 2-fluoro-6-trifluoromethyl benzyl bromide,2-bromomethyl-1-fluoro-3-trifluoromethyl benzene,2-fluoro-6-trifluoromethylbenzyl bromide,2-fluoro-6-trifluoromethylbenzylbromide,2-fluoro-6-trifluoromethyl benzylbromide,2-bromomethyl-3-fluorobenzotrifluoride,alpha-bromo-2-fluoro-6-trifluoromethyl toluene,benzene, 2-bromomethyl-1-fluoro-3-trifluoromethyl,pubchem4932,acmc-1cg83 PubChem CID: 2737573 IUPAC Name: 2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene SMILES: C1=CC(=C(C(=C1)F)CBr)C(F)(F)F
2,4-Bis(trifluoromethyl)benzoic acid, 98%, Thermo Scientific™
CAS: 32890-87-2 Molecular Formula: C9H4F6O2 Molecular Weight (g/mol): 258.12 MDL Number: MFCD00042496 InChI Key: JTOIZLCQNWWDCN-UHFFFAOYSA-N Synonym: 2,4-bis trifluoromethyl benzoic acid,2,4-bis-trifluoromethylbenzoic acid,2,4-di trifluoromethyl benzoic acid,benzoic acid, 2,4-bis trifluoromethyl,2,4-bis-trifluoromethyl-benzoic acid,maybridge4_003283,acmc-20aoeb,pubchem8491,rarechem al bo 0512 PubChem CID: 141752 IUPAC Name: 2,4-bis(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)O
4-Iodobenzotrifluoride, 97%, Thermo Scientific Chemicals
CAS: 455-13-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272 MDL Number: MFCD00039398 InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N Synonym: 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene PubChem CID: 67993 IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)I
3,5-Bis(trifluoromethyl)benzylamine, 95%
CAS: 85068-29-7 Molecular Formula: C9H7F6N Molecular Weight (g/mol): 243.15 MDL Number: MFCD00009909 InChI Key: DHVHORCFFOSRBP-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzylamine,3,5-bis trifluoromethyl phenyl methanamine,3,5-di trifluoromethyl benzylamine,3,5-ditrifluoromethylbenzylamine,mbt-bym,3,5-bis trifluoromethyl phenyl methylamine,benzenemethanamine, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl-benzylamine PubChem CID: 521099 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanamine SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN
2-(Trifluoromethyl)phenol, 98%
CAS: 444-30-4 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.111 MDL Number: MFCD00002222 InChI Key: ZOQOPXVJANRGJZ-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenol,2-hydroxybenzotrifluoride,o-trifluoromethylphenol,o-hydroxybenzotrifluoride,alpha,alpha,alpha-trifluoro-o-cresol,phenol, 2-trifluoromethyl,o-trifluoromethoxy phenol,a,a,a-trifluoro-o-cresol,2-hydroxy-alpha,alpha,alpha-trifluorotoluene PubChem CID: 67958 IUPAC Name: 2-(trifluoromethyl)phenol SMILES: C1=CC=C(C(=C1)C(F)(F)F)O
alpha'-Bromo-alpha,alpha,alpha-trifluoro-p-xylene, 98%
CAS: 402-49-3 Molecular Formula: C8H6BrF3 Molecular Weight (g/mol): 239.04 MDL Number: MFCD00000403 InChI Key: IKSNDOVDVVPSMA-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzyl bromide,1-bromomethyl-4-trifluoromethyl benzene,4-trifluoromethylbenzyl bromide,4-bromomethyl benzotrifluoride,p-trifluoromethylbenzyl bromide,4-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-trifluoromethyl,4-trifluoromethylbenzylbromide,p-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-p-xylene PubChem CID: 123062 IUPAC Name: 1-(bromomethyl)-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1CBr)C(F)(F)F
4-(Trifluoromethyl)benzaldehyde, 98%
CAS: 455-19-6 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00006952 InChI Key: BEOBZEOPTQQELP-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzaldehyde,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde PubChem CID: 67996 IUPAC Name: 4-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC=C1C=O)C(F)(F)F
2-Chloro-5-(trifluoromethyl)benzeneboronic acid, 96%
CAS: 182344-18-9 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.37 MDL Number: MFCD00797335 InChI Key: YVMXEHZEYONARR-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl phenylboronic acid,2-chloro-5-trifluoromethyl benzeneboronic acid,2-chloro-5-trifluoromethylphenylboronic acid,2-chloro-5-trifluoromethyl phenyl boronic acid,2-chloro-5-trifluoromethyl phenylboronicacid,boronic acid, 2-chloro-5-trifluoromethyl phenyl,pubchem1800,acmc-1c23a,ksc489k6p PubChem CID: 2782670 IUPAC Name: [2-chloro-5-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(F)(F)F)Cl)(O)O
3-(Trifluoromethyl)styrene, 97+%, stabilized
CAS: 402-24-4 Molecular Formula: C9H7F3 Molecular Weight (g/mol): 172.15 MDL Number: MFCD00075481 InChI Key: ARHOUOIHKWELMD-UHFFFAOYSA-N Synonym: 3-trifluoromethyl styrene,1-trifluoromethyl-3-vinylbenzene,1-ethenyl-3-trifluoromethyl benzene,3-cf3c6h4ch=ch2,3-trifluoromethylstyren,3-vinylbenzotrifluoride,m-trifluoromethylstyrene,pubchem15477,3-trifluoromethylstyrene,1-trifluoromethyl-3-vinyl-benzene PubChem CID: 520986 IUPAC Name: 1-ethenyl-3-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=CC(C=C)=C1
4-Fluoro-2-(trifluoromethyl)phenol, 95%, Thermo Scientific Chemicals
CAS: 130047-19-7 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.10 MDL Number: MFCD00061290 InChI Key: RNOVGJWJVRESAA-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl phenol,2-trifluoromethyl-4-fluorophenol,5-fluoro-2-hydroxybenzotrifluoride,pubchem4146,acmc-1bxww,intermediates-zcf02005,ksc495m8f,4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl-phenol PubChem CID: 518675 IUPAC Name: 4-fluoro-2-(trifluoromethyl)phenol SMILES: OC1=C(C=C(F)C=C1)C(F)(F)F