Benzenoids
4-Iodo-2-nitroanisole, 98%
CAS: 52692-09-8 Molecular Formula: C7H6INO3 Molecular Weight (g/mol): 279.033 MDL Number: MFCD08060933 InChI Key: WULXGCDMVLQZBT-UHFFFAOYSA-N Synonym: 4-iodo-2-nitroanisole,4-iodo-1-methoxy-2-nitro-benzene,benzene, 4-iodo-1-methoxy-2-nitro,2-nitro-4-iodoanisole,acmc-1amtn,4-methoxy-3-nitroiodobenzene,benzene,4-iodo-1-methoxy-2-nitro,4-iodanyl-1-methoxy-2-nitro-benzene PubChem CID: 12249866 IUPAC Name: 4-iodo-1-methoxy-2-nitrobenzene SMILES: COC1=C(C=C(C=C1)I)[N+](=O)[O-]
Methyl 3-amino-4-iodobenzoate, 97%
CAS: 412947-54-7 Molecular Formula: C8H8INO2 Molecular Weight (g/mol): 277.061 MDL Number: MFCD08064225 InChI Key: WJEBNIVVLJEIKE-UHFFFAOYSA-N Synonym: 3-amino-4-iodobenzoic acid methyl ester,benzoic acid, 3-amino-4-iodo-, methyl ester,methyl3-amino-4-iodobenzoate,pubchem10509,acmc-209ygt,ksc495i4l,methyl-3-amino-4-iodobenzoate,methyl 3-amino-4-iodo-benzoate,3-amino-4-iodo-benzoic acid methyl ester PubChem CID: 21628210 IUPAC Name: methyl 3-amino-4-iodobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)I)N
Methyl 4-fluoro-3-hydroxybenzoate, 98+%
CAS: 214822-96-5 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD06797457 InChI Key: CUGWNEOTLGLGDG-UHFFFAOYSA-N Synonym: 4-fluoro-3-hydroxybenzoic acid methyl ester,benzoic acid, 4-fluoro-3-hydroxy-, methyl ester,pubchem3567,acmc-209fky,methyl4-fluoro-3-hydroxybenzoate,methyl 4-fluoranyl-3-oxidanyl-benzoate,3-hydroxy-4-fluorobenzoic acid methyl ester,4-fluoro-3-hydroxy-benzoic acid methyl ester,benzoic acid,4-fluoro-3-hydroxy-, methyl ester PubChem CID: 12016892 IUPAC Name: methyl 4-fluoro-3-hydroxybenzoate SMILES: COC(=O)C1=CC(=C(C=C1)F)O
5-Bromo-2-methoxyaniline, 97%
CAS: 6358-77-6 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.05 MDL Number: MFCD04037882 InChI Key: OPGNSNDTPPIYPG-UHFFFAOYSA-N Synonym: 5-bromo-2-methoxy aniline,2-amino-4-bromoanisole,5-bromo-o-anisidine,benzenamine, 5-bromo-2-methoxy,5-bromo-2-methoxy-aniline,4-bromo-2-aminoanisole,2-methoxy-5-bromoaniline,acmc-1b9k2,5-bromo-2-methoxyphenylamine,5-bromo-2-methyloxy aniline PubChem CID: 3585328 IUPAC Name: 5-bromo-2-methoxyaniline SMILES: COC1=C(N)C=C(Br)C=C1
4-Hydroxy-3-(trifluoromethyl)benzoic acid, 98%, Thermo Scientific™
CAS: 220239-68-9 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD01091008 InChI Key: DPVRVZQEDJVWLS-UHFFFAOYSA-N Synonym: 4-hydroxy-3-trifluoromethyl benzoic acid,benzoic acid, 4-hydroxy-3-trifluoromethyl,4-hydroxy-3-trifluoromethyl benzoicacid,acmc-1cdpd,ksc495o6p,4-hydroxy-3-trifluoromethyl-benzoic acid,4-oxidanyl-3-trifluoromethyl benzoic acid PubChem CID: 2775112 IUPAC Name: 4-hydroxy-3-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC(=C(O)C=C1)C(F)(F)F
3-Hydroxy-5-(trifluoromethyl)benzoic acid, 99%, Thermo Scientific Chemicals
CAS: 328-69-8 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD07368783 InChI Key: BJUOAPFXYPEEMK-UHFFFAOYSA-N Synonym: 3-hydroxy-5-trifluoromethyl benzoic acid,3-hydroxy-5-trifluoromethyl-benzoic acid,benzoic acid, 3-hydroxy-5-trifluoromethyl,3-hydroxy-5-trifluoromethylbenzoicacid,acmc-1cprz,ksc496i2d,3-carboxy-5-hydroxybenzotrifluoride,3-carboxy-5-trifluoromethyl phenol,5-hydroxy-3-trifluoromethyl-benzoic acid,5-hydroxy-3-trifluoromethyl benzoic acid PubChem CID: 2783146 IUPAC Name: 3-hydroxy-5-(trifluoromethyl)benzoic acid SMILES: C1=C(C=C(C=C1C(F)(F)F)O)C(=O)O
3-Fluoro-4-nitrobenzyl bromide, 97%
CAS: 131858-37-2 Molecular Formula: C7H5BrFNO2 Molecular Weight (g/mol): 234.02 MDL Number: MFCD03094237 InChI Key: ZOZJSWIXPIVMRU-UHFFFAOYSA-N Synonym: 3-fluoro-4-nitrobenzyl bromide,4-bromomethyl-2-fluoro-1-nitrobenzene,4-bromomethyl-2-fluoronitrobenzene,benzene, 4-bromomethyl-2-fluoro-1-nitro,intermediates-zcf02012,acmc-1c6h7,4-bromomethyl-2-fluoro-1-nitro-benzene,benzene,4-bromomethyl-2-fluoro-1-nitro,4-bromomethyl-2-fluoranyl-1-nitro-benzene PubChem CID: 2774661 IUPAC Name: 4-(bromomethyl)-2-fluoro-1-nitrobenzene SMILES: [O-][N+](=O)C1=C(F)C=C(CBr)C=C1
1-Benzyl-1,4,7,10-tetraazacyclododecane
CAS: 112193-83-6 Molecular Formula: C15H26N4 Molecular Weight (g/mol): 262.401 MDL Number: MFCD09263310 InChI Key: FURLCQRFFWBENR-UHFFFAOYSA-N Synonym: 1-benzyl-1,4,7,10-tetraazacyclododecane,1-benzylcyclen,acmc-20aoy3,1,4,7,10-tetraazacyclododecane, 1-phenylmethyl,n-benzyl-1,4,7,10-tetraazacyclododecane,min PubChem CID: 10084082 IUPAC Name: 1-benzyl-1,4,7,10-tetrazacyclododecane SMILES: C1CNCCN(CCNCCN1)CC2=CC=CC=C2
1,8-Dibenzyl-1,4,8,11-tetraazacyclotetradecane
CAS: 214078-93-0 Molecular Formula: C24H36N4 Molecular Weight (g/mol): 380.58 MDL Number: MFCD09263312 InChI Key: QWGFFCRTIFBAFJ-UHFFFAOYSA-N Synonym: 1,8-dibenzyl-1,4,8,11-tetraazacyclotetradecane,acmc-1cidi,n 1 ,n 8-dibenzylcyclam,1,4,8,11-tetraazacyclotetradecane,1,8-bis phenylmethyl PubChem CID: 11176466 IUPAC Name: 1,8-dibenzyl-1,4,8,11-tetrazacyclotetradecane SMILES: C1CNCCN(CCCNCCN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3
4-Fluoro-2-methoxybenzonitrile, 97%
CAS: 191014-55-8 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD04116335 InChI Key: HGBKZVIQHCUHRI-UHFFFAOYSA-N Synonym: benzonitrile, 4-fluoro-2-methoxy,2-methoxy-4-fluorobenzonitrile,4-fluoro-2-methoxy-benzonitrile,benzonitrile, 4-fluoro-2-methoxy-9ci,4-fluoro-2-methoxybenzenecarbonitrile,pubchem4786,acmc-209xzr,ksc494i6t,4fluoro-2-methoxy-benzonitrile,buttpark 80\07-22 PubChem CID: 2783329 IUPAC Name: 4-fluoro-2-methoxybenzonitrile SMILES: COC1=C(C=CC(=C1)F)C#N
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
2-Fluoro-5-(trifluoromethoxy)benzyl bromide, 97%
CAS: 86256-24-8 Molecular Formula: C8H5BrF4O Molecular Weight (g/mol): 273.025 MDL Number: MFCD04115890 InChI Key: KOISGBFWQAPLFE-UHFFFAOYSA-N Synonym: 2-fluoro-5-trifluoromethoxy benzyl bromide,2-bromomethyl-1-fluoro-4-trifluoromethoxy benzene,1-bromomethyl-2-fluoro-5-trifluoromethoxy benzene PubChem CID: 2783326 IUPAC Name: 2-(bromomethyl)-1-fluoro-4-(trifluoromethoxy)benzene SMILES: C1=CC(=C(C=C1OC(F)(F)F)CBr)F
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
(1S,2S)-N-(p-Toluenesulfonyl)-1,2-diphenylethanediamine
CAS: 167316-27-0 Molecular Formula: C21H23N2O2S Molecular Weight (g/mol): 367.49 MDL Number: MFCD03095684 InChI Key: UOPFIWYXBIHPIP-SFTDATJTSA-O Synonym: 1s,2s-+-n-p-tosyl-1,2-diphenylethylenediamine,s,s-tsdpen,1s,2s-+-n-4-toluenesulfonyl-1,2-diphenylethylenediamine,1s,2s-n-4-toluenesulfonyl-1,2-diphenylethylene-1,2-diamine,1s,2s---n-p-tosyl-1,2-diphenylethylenediamine,n-1s,2s-2-amino-1,2-diphenylethyl-4-methylbenzenesulfonamide,1s, 2s-+-n-4-toluene sulfonyl 1,2-diphenyl-1,2-ethane diamine,s,s-n-p-toluenesulfonyl-1,2-diphenylethylenediamine,1s,2s-tsdpen,s,s-n-2-amino-1,2-diphenylethyl-p-toluenesulfonamide PubChem CID: 6612782 IUPAC Name: N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]([C@@H]([NH3+])C1=CC=CC=C1)C1=CC=CC=C1
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