Benzene and substituted derivatives
3-Bromobenzenesulfonamide, 97%
CAS: 89599-01-9 Molecular Formula: C6H6BrNO2S Molecular Weight (g/mol): 236.083 MDL Number: MFCD00084903 InChI Key: MUBJNMWVQGHHLG-UHFFFAOYSA-N Synonym: 3-bromobenzenesulphonamide,3-bromobenzene-1-sulfonamide,benzenesulfonamide, 3-bromo,3-bromo-benzenesulfonamide,3-bromobenesulfonamide,3-bromo-benzenesulfonic acid amide,3-bromanylbenzenesulfonamide,pubchem11759,3-bromophenylsulfonamide,m-bromobenzenesulfonamide PubChem CID: 2734765 IUPAC Name: 3-bromobenzenesulfonamide SMILES: C1=CC(=CC(=C1)Br)S(=O)(=O)N
tert-Butyl hydrogen phthalate, 97%
CAS: 33693-84-4 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00043711 InChI Key: PBUQZKXKYSAJDO-UHFFFAOYSA-N Synonym: tert-butyl hydrogen phthalate,2-tert-butoxycarbonyl benzoic acid,unii-8390xkx0sq,2-tert-butyl oxycarbonyl benzoic acid,t-monobutyl phthalate,t-butyl hydrogen phthalate,acmc-1ad5b,dsstox_cid_27150,dsstox_rid_82154,dsstox_gsid_47150 PubChem CID: 134976 IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid SMILES: CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)O
3-Methoxy-2-methylbenzoic acid, 97%
CAS: 55289-06-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD02094039 InChI Key: JPCISVSOTKMFPG-UHFFFAOYSA-N Synonym: 3-methoxy-o-toluic acid,2-methyl-m-anisic acid,3-methoxy-2-methyl-benzoic acid,3-methoxy-2-methylbenzoicacid,benzoic acid, 3-methoxy-2-methyl,2-methyl-3-methoxybenzoic acid,pubchem4976,acmc-209lm1,ksc269c9h,2-methyl-3-methoxy-benzoic acid PubChem CID: 7021483 IUPAC Name: 3-methoxy-2-methylbenzoic acid SMILES: COC1=CC=CC(C(O)=O)=C1C
Potassium trans-beta-styryltrifluoroborate, 98%
CAS: 201852-49-5 Molecular Formula: C8H7BF3K Molecular Weight (g/mol): 210.05 MDL Number: MFCD02093981 InChI Key: NONAUTDEFRJJII-UHFFFAOYSA-N Synonym: potassium trans-styryltrifluoroborate,potassium beta-styryltrifluoroborate,beta-styryltrifluoroboric acid potassium salt,pubchem11312,potassiostyryltrifluoroboron v,potassium-styryltrifluoroborate,potassium a-styryltrifluoroborate,potassium b-styryltrifluoroborate,potassium e-styryltrifluoroborate,potassium 2-phenylethenyltrifluoroborate PubChem CID: 23664278 IUPAC Name: potassium;trifluoro-[(E)-2-phenylethenyl]boranuide SMILES: [K+].F[B-](F)(F)C=CC1=CC=CC=C1
3,5-Bis(trifluoromethyl)styrene, 96%, stab.
CAS: 349-59-7 Molecular Formula: C10H6F6 Molecular Weight (g/mol): 240.15 MDL Number: MFCD00075538 InChI Key: LFICVUCVPKKPFF-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl styrene,1,3-bis trifluoromethyl-5-vinylbenzene,1-ethenyl-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl styrene, stab. with 4-methoxyphenol,pubchem2736,acmc-1cmtq,3,5-bis trifluromethyl styrene,1,3-bis-trifluoromethyl-5-vinyl-benzene,3,5-bis trifluoromethyl styrene, stab. PubChem CID: 2773242 IUPAC Name: 1-ethenyl-3,5-bis(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC(=CC(C=C)=C1)C(F)(F)F
Benzyl methyl ether, 97%
CAS: 538-86-3 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00025901 InChI Key: GQKZBCPTCWJTAS-UHFFFAOYSA-N Synonym: benzyl methyl ether,methoxymethyl benzene,methyl benzyl ether,benzene, methoxymethyl,ether, benzyl methyl,benzylmethylether,unii-f22rls78bd,.alpha.-methoxytoluene,f22rls78bd,methoxyphenylmethane PubChem CID: 10869 IUPAC Name: methoxymethylbenzene SMILES: COCC1=CC=CC=C1
Biphenyl-4,4'-dicarbonitrile, 98%
CAS: 1591-30-6 Molecular Formula: C14H8N2 Molecular Weight (g/mol): 204.232 MDL Number: MFCD00013805 InChI Key: KAXYYLCSSXFXKR-UHFFFAOYSA-N Synonym: 4,4'-biphenyldicarbonitrile,1,1'-biphenyl-4,4'-dicarbonitrile,4,4'-dicyanobiphenyl,biphenyl-4,4'-dicarbonitrile,4,4'-dicyanodiphenyl,4,4'-diphenyldicarbonitrile,4-4-cyanophenyl benzonitrile,4-4-cyanophenyl benzenecarbonitrile PubChem CID: 15321 IUPAC Name: 4-(4-cyanophenyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N
Triphenylphosphine sulfide, 98%, Thermo Scientific Chemicals
CAS: 3878-45-3 Molecular Formula: C18H15PS Molecular Weight (g/mol): 294.35 MDL Number: MFCD00004917 InChI Key: VYNGFCUGSYEOOZ-UHFFFAOYSA-N Synonym: triphenylphosphine sulfide,phosphine sulfide, triphenyl,triphenylphosphine sulphide,triphenylphosphine monosulfide,triphenylphosphane sulfide,triphenylphosphino-1-thione,triphenylthioxophosphorane,triphenylphosphorus sulfide,wln: spr&r&r,triphenyl-,e5-phosphanethione PubChem CID: 19758 IUPAC Name: triphenyl(sulfanylidene)-$l^{5}-phosphane SMILES: S=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
3-Methyl-2-nitrobenzoic acid, 98%
CAS: 5437-38-7 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007180 InChI Key: DGDAVTPQCQXLGU-UHFFFAOYSA-N Synonym: 3-methyl-2-nitrobenzoic acid,2-nitro-m-toluic acid,2-nitro-3-methylbenzoic acid,benzoic acid, 3-methyl-2-nitro,unii-61wop984ab,3-methyl-2-nitro-benzoic acid,3-methyl-2-nitrobenzoicacid,pubchem8352,acmc-1ashh,dsstox_cid_5640 PubChem CID: 21575 IUPAC Name: 3-methyl-2-nitrobenzoic acid SMILES: CC1=CC=CC(C(O)=O)=C1[N+]([O-])=O
3-Pyrimidin-2-ylbenzaldehyde, 97%, Thermo Scientific™
CAS: 263349-22-0 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.20 MDL Number: MFCD08056283 InChI Key: ZBAZYPXXIVHUFO-UHFFFAOYSA-N Synonym: 3-pyrimidin-2-yl benzaldehyde,2-3-formylphenyl pyrimidine,3-2-pyrimidinyl benzaldehyde,benzaldehyde,3-2-pyrimidinyl,benzaldehyde, 3-2-pyrimidinyl,benzaldehyde, 3-2-pyrimidinyl-9ci PubChem CID: 22630818 SMILES: O=CC1=CC=CC(=C1)C1=NC=CC=N1
2-Cyano-4'-methylbiphenyl, 98+%
CAS: 114772-53-1 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.25 MDL Number: MFCD00151805 InChI Key: ZGQVZLSNEBEHFN-UHFFFAOYSA-N Synonym: 2-cyano-4'-methylbiphenyl,4'-methyl-2-cyanobiphenyl,4'-methylbiphenyl-2-carbonitrile,2'-cyano-4-methylbiphenyl,2-p-tolyl benzonitrile,2-4-methylphenyl benzonitrile,2-cyano-4'-methyl biphenyl,4'-methyl-1,1'-biphenyl-2-carbonitrile,unii-o417ti15ta,4'-methyl-2-cyano diphenyl PubChem CID: 145512 IUPAC Name: 2-(4-methylphenyl)benzonitrile SMILES: CC1=CC=C(C=C1)C1=CC=CC=C1C#N
2,5-Difluorobenzyl bromide, 98%
CAS: 85117-99-3 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.02 MDL Number: MFCD00009897 InChI Key: ONWGSWNHQZYCFK-UHFFFAOYSA-N Synonym: 2,5-difluorobenzyl bromide,2-bromomethyl-1,4-difluorobenzene,2,5-difluorobenzylbromide,alpha-bromo-2,5-difluorotoluene,benzene, 2-bromomethyl-1,4-difluoro,timtec-bb sbb006680,2-bromomethyl-1,4-difluoro-benzene,pubchem10213,2,2-difluorobenzylbromide,acmc-209q4i PubChem CID: 522830 IUPAC Name: 2-(bromomethyl)-1,4-difluorobenzene SMILES: FC1=CC=C(F)C(CBr)=C1
2,4-Dichloro-6-methylaniline, 97%
CAS: 30273-00-8 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00044074 InChI Key: UAISVUGQLKXPFF-UHFFFAOYSA-N Synonym: 4,6-dichloro-2-methylaniline,benzenamine, 2,4-dichloro-6-methyl,acmc-20aodo,4,6-dichloro-o-toluidine,2-amino-3,5-dichlorotoluene,2,4-dichloro-6-methylphenylamine,4,6-dichloro-2-methylphenylamine,2,4-bis chloranyl-6-methyl-aniline,2,4-dichloro-6-methylaniline PubChem CID: 1268287 IUPAC Name: 2,4-dichloro-6-methylaniline SMILES: CC1=CC(=CC(=C1N)Cl)Cl
1-Eth-1-ynyl-4-propylbenzene, 97%, Thermo Scientific™
CAS: 62452-73-7 Molecular Formula: C11H12 Molecular Weight (g/mol): 144.217 MDL Number: MFCD00173886 InChI Key: UVFFOABHOIMLNB-UHFFFAOYSA-N Synonym: 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene PubChem CID: 2775133 IUPAC Name: 1-ethynyl-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)C#C
4-Methoxyphenylglyoxal hydrate, 95%, dry wt. basis
CAS: 16208-17-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00234534 InChI Key: NLUFPYPVEHQAQN-UHFFFAOYSA-N Synonym: 4-methoxyphenylglyoxal hydrate,2-4-methoxyphenyl-2-oxoacetaldehyde hydrate,pubchem12129,acmc-20ai17,4-methoxyphenyl glyoxal hydrate,p-methoxyphenylglyoxal monohydrate,2-4-methoxyphenyl-2-oxoethanal, hydrate,ethanone,2,2-dihydroxy-1-4-methoxyphenyl,4-methoxyphenyl oxo acetaldehyde-water 1/1,2-4-methoxyphenyl-2-oxidanylidene-ethanal hydrate PubChem CID: 15556730 IUPAC Name: 2-(4-methoxyphenyl)-2-oxoacetaldehyde;hydrate SMILES: COC1=CC=C(C=C1)C(=O)C(O)O