Benzene and substituted derivatives
2-Bromo-3-fluorobenzyl bromide, 98%
CAS: 1184918-22-6 Molecular Formula: C7H5Br2F Molecular Weight (g/mol): 267.92 MDL Number: MFCD12911576 InChI Key: ZJSRIMJDFLFPJI-UHFFFAOYSA-N Synonym: 2-bromo-1-bromomethyl-3-fluorobenzene,2-bromo-3-fluorobenzyl bromide,2-bromo-3-bromomethyl-1-fluorobenzene,2-bromo-3-fluorobenzylbromide PubChem CID: 44181799 IUPAC Name: 2-bromo-1-(bromomethyl)-3-fluorobenzene SMILES: FC1=CC=CC(CBr)=C1Br
4-Methoxy-2-methylbenzoic acid, 97%
CAS: 6245-57-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00020291 InChI Key: MSVRGYOYISBGTH-UHFFFAOYSA-N Synonym: 2-methyl-4-methoxybenzoic acid,4-methoxy-2-methyl-benzoic acid,2-methyl-p-anisic acid,benzoic acid, 4-methoxy-2-methyl,4-methoxy-o-toluic acid,acmc-209x9h,ksc495k2d,2-methyl-4-methoxybenzoicacid,2-methyl-4-methoxy-benzoic acid,4-methoxy-2-methyl benzoic acid PubChem CID: 597216 IUPAC Name: 4-methoxy-2-methylbenzoic acid SMILES: COC1=CC(C)=C(C=C1)C(O)=O
3-(Boc-amino)benzeneboronic acid pinacol ester, 97%
CAS: 330793-09-4 Molecular Formula: C17H26BNO4 Molecular Weight (g/mol): 319.208 MDL Number: MFCD03789256 InChI Key: ANQAOGOIWVMGCH-UHFFFAOYSA-N Synonym: tert-butyl 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl-n-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-n-boc-amino phenylboronic acid pinacol ester,3-boc-amino benzeneboronic acid pinacol ester,tert-butyl n-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-boc-aminophenylboronic acid, pinacol ester,tert-butyl n-3-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-tert-butoxycarbonylamino phenylboronic acid pinacol ester,3-tert-butoxycarbonylamino phenylboronic acid, pinacol ester,3-tert-butoxycarbonyl amino benzeneboronic acid, pinacol ester PubChem CID: 2773617 IUPAC Name: tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)OC(C)(C)C
3,5-Difluoro-4-methoxyaniline, 97%
CAS: 363-47-3 Molecular Formula: C7H7F2NO Molecular Weight (g/mol): 159.14 MDL Number: MFCD04115910 InChI Key: POVSDXPEJZMSEJ-UHFFFAOYSA-N Synonym: 4-amino-2,6-fluoroanisole,benzenamine, 3,5-difluoro-4-methoxy-9ci,3,5-difluoro-4-methoxy-aniline,benzenamine,3,5-difluoro-4-methoxy,pubchem10104,3,5-difluoro-4-methxoyaniline,3,5-difluoro-4-methoxybenzenamine,3,5-difluoro-4-methoxyphenylamine,3,5-difluoro-4-methoxybenzeneamine,3,5-difluoro-4-methoxy-benzenamine PubChem CID: 2783137 IUPAC Name: 3,5-difluoro-4-methoxyaniline SMILES: COC1=C(F)C=C(N)C=C1F
Ethyl 3-cyano-3-phenylpyruvate, 97%
CAS: 6362-63-6 Molecular Formula: C12H11NO3 Molecular Weight (g/mol): 217.22 MDL Number: MFCD00019801 InChI Key: YWNRATDDUSMBPR-UHFFFAOYNA-N Synonym: ethyl 3-cyano-3-phenylpyruvate,ethyl phenylcyanopyruvate,cyanophenylpyruvic acid ethyl ester,ethyl cyanophenylpyruvate,ethyl alpha-cyanophenylpyruvate,pyruvic acid, cyanophenyl-, ethyl ester,ethyl .alpha.-cyanophenylpyruvate,wln: ncr x1v1uno2,4-10-00-03440 beilstein handbook reference,benzenepropanoic acid, .beta.-cyano-.alpha.-oxo-, ethyl ester PubChem CID: 22845 IUPAC Name: ethyl 3-cyano-2-oxo-3-phenylpropanoate SMILES: CCOC(=O)C(=O)C(C#N)C1=CC=CC=C1
alpha,alpha-Dimethylbenzylamine, 96%
CAS: 585-32-0 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00134680 InChI Key: KDFDOINBXBEOLZ-UHFFFAOYSA-N Synonym: cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine PubChem CID: 68509 IUPAC Name: 2-phenylpropan-2-amine SMILES: CC(C)(N)C1=CC=CC=C1
3,5-Bis(trifluoromethyl)thiobenzamide, 97%
CAS: 317319-15-6 Molecular Formula: C9H5F6NS Molecular Weight (g/mol): 273.20 MDL Number: MFCD00278692 InChI Key: OWYYZIVORPIBPZ-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl thiobenzamide,3,5-di trifluoromethyl benzene-1-carbothioamide,3,5-bis trifluoromethyl benzenecarbothioamide,3,5-bis trifluoromethyl benzothioamide,benzenecarbothioamide,3,5-bis trifluoromethyl,acmc-20ands,maybridge1_003450,3,5-bis-trifluoromethyl-thiobenzamide,3,5-bis trifluoromethyl benzene-1-carbothioamide PubChem CID: 2806924 IUPAC Name: 3,5-bis(trifluoromethyl)benzenecarbothioamide SMILES: NC(=S)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
4-Bromo-2-(trifluoromethyl)phenol, 99%
CAS: 50824-04-9 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD05668981 InChI Key: PDPGERGWEOJVDC-UHFFFAOYSA-N Synonym: 4-bromo-2-trifluoromethyl phenol,4-bromo-2-trifluoromethyl benzenol,5-bromo-2-hydroxybenzotrifluoride,o-cresol, 4-bromo-alpha,alpha,alpha-trifluoro,4-bromo-2-trifluoromethyl-phenol,phenol, 4-bromo-2-trifluoromethyl,pubchem18454,acmc-209kqd,bromotrifluoromethylbenzenol,ksc490k9d PubChem CID: 142784 IUPAC Name: 4-bromo-2-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1Br)C(F)(F)F)O
4-Chloro-2,6-difluorobenzoic acid, 97%
CAS: 196194-58-8 Molecular Formula: C7H3ClF2O2 Molecular Weight (g/mol): 192.546 MDL Number: MFCD06203570 InChI Key: ZCJKTGPZLLGECQ-UHFFFAOYSA-N PubChem CID: 17750684 IUPAC Name: 4-chloro-2,6-difluorobenzoic acid SMILES: C1=C(C=C(C(=C1F)C(=O)O)F)Cl
2-Fluoro-4-methylbenzoic acid, 97%
CAS: 7697-23-6 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD03092906 InChI Key: ALFWHEYHCZRVLO-UHFFFAOYSA-N Synonym: 2-fluoro-4-methyl-benzoic acid,2-fluoro-p-toluic acid,2-fluoro-4-methylbenzoicacid,benzoic acid, 2-fluoro-4-methyl,pubchem1395,acmc-1bbau,4-carboxy-3-fluorotoluene,ksc377a4r,rarechem al bo 2237,2-fluoro-4-methyl benzoic acid PubChem CID: 2736145 IUPAC Name: 2-fluoro-4-methylbenzoic acid SMILES: CC1=CC=C(C(O)=O)C(F)=C1
4-Formyl-3-(trifluoromethyl)benzeneboronic acid, 95%, Thermo Scientific Chemicals
CAS: 1072944-24-1 Molecular Formula: C8H6BF3O3 Molecular Weight (g/mol): 217.938 MDL Number: MFCD09037498 InChI Key: OQDHNEKEJVPVDS-UHFFFAOYSA-N Synonym: 4-formyl-3-trifluoromethyl phenyl boronic acid,4-formyl-3-trifluoromethyl phenylboronic acid,4-formyl-3-trifluoromethyl benzeneboronic acid,5-borono-2-formylbenzotrifluoride,4-borono-2-trifluoromethyl benzaldehyde,3-trifluoromethyl-4-formylphenylboronic acid,acmc-2098oi,4-formyl-3-trifluoromethyl phenyl boronicacid PubChem CID: 44755197 IUPAC Name: [4-formyl-3-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)C=O)C(F)(F)F)(O)O
4-Hydroxy-2-(trifluoromethyl)benzonitrile, 98%
CAS: 320-42-3 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.121 MDL Number: MFCD06797340 InChI Key: MDBVIOUGHSKRMT-UHFFFAOYSA-N Synonym: 4-hydroxy-2-trifluoromethyl benzonitrile,4-hydroxy-2-trifluoroemthyl benzonitrile,pubchem4807,2-cyano-5-hydroxybenzotrifluoride,4-cyano-3-trifluoromethyl phenol,4-hydroxy-2-trifluoromethyl-benzonitrile,benzonitrile, 4-hydroxy-2-trifluoromethyl,4-hydroxy-2-trifluoromethyl benzenecarbonitrile PubChem CID: 2783153 IUPAC Name: 4-hydroxy-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1O)C(F)(F)F)C#N
3-(2-Bromophenyl)-1H-pyrazole, 97%
CAS: 114382-20-6 Molecular Formula: C9H7BrN2 Molecular Weight (g/mol): 223.073 MDL Number: MFCD01940435 InChI Key: VDHTYVJAQNZWTD-UHFFFAOYSA-N Synonym: 3-2-bromophenyl-1h-pyrazole,3-2-bromophenyl pyrazole,5-2-bromophenyl-1h-pyrazole,1h-pyrazole,3-2-bromophenyl,3-2-bromo-phenyl-1h-pyrazole,3-2-bromophenyl-2h-pyrazole,3-o-bromophenylpyrazole,acmc-1c4z7 PubChem CID: 2735612 IUPAC Name: 5-(2-bromophenyl)-1H-pyrazole SMILES: C1=CC=C(C(=C1)C2=CC=NN2)Br
1,3,5-Trifluoro-2,4,6-triiodobenzene, 97%
CAS: 84322-56-5 Molecular Formula: C6F3I3 Molecular Weight (g/mol): 509.775 MDL Number: MFCD06248899 InChI Key: NTAZOPPTLZSXQH-UHFFFAOYSA-N Synonym: 1,3,5-trifluoro-2,4,6-triiodo-benzene,1,3,5-trilfluoro-2,4,6-triiodobenzene,benzene,1,3,5-trifluoro-2,4,6-triiodo,pubchem10637,1,3,5-trifluoro-2,4,1,3,5-triiodotrifluorobenzene,1,3,5-trifluoro-2,4,6-triiodob,benzene, 1,3,5-trifluoro-2,4,6-triiodo PubChem CID: 3852430 IUPAC Name: 1,3,5-trifluoro-2,4,6-triiodobenzene SMILES: C1(=C(C(=C(C(=C1I)F)I)F)I)F
2,5-Difluoro-4-nitrobenzoic acid, 97%
CAS: 116465-48-6 Molecular Formula: C7H3F2NO4 Molecular Weight (g/mol): 203.101 MDL Number: MFCD03425705 InChI Key: GPTNSBLYGCZJQV-UHFFFAOYSA-N Synonym: 2,5-difluoro-4-nitrobenzoic acid,2,5-difluoro-4-nitrobenzenecarboxylic acid,2,5-difluoro-4-nitrobenzic acid,2,5-difluoro-4-nitrobenzoicacid,2,5-difluoro-4-nitro-benzoic acid,benzoic acid, 2,5-difluoro-4-nitro,2,5-difluoro-4-nitrobenzenecarboxylicacid,pubchem9789,acmc-2099sr,ksc495m6l PubChem CID: 246375 SMILES: C1=C(C(=CC(=C1F)[N+](=O)[O-])F)C(=O)O