Benzene and substituted derivatives
6-Acetyl-2(3H)-benzothiazolone, 97%
CAS: 133044-44-7 Molecular Formula: C9H7NO2S Molecular Weight (g/mol): 193.22 MDL Number: MFCD02660572 InChI Key: UFRAIEFXNRTICG-UHFFFAOYSA-N Synonym: 6-acetyl-2 3h-benzothiazolone,6-acetylbenzo d thiazol-2 3h-one,1-2-hydroxybenzo d thiazol-6-yl ethanone,6-acetyl-1,3-benzothiazol-2 3h-one,2 3h-benzothiazolone,6-acetyl-9ci,pubchem21732,6-acetyl-3h-benzthiazole-2-one,6-acetyl-3h-benzothiazol-2-one,6-acetylbenzothiazol-2 3h-one,6-acetyl-2-benzothiazolone PubChem CID: 689053 IUPAC Name: 6-acetyl-3H-1,3-benzothiazol-2-one SMILES: CC(=O)C1=CC2=C(C=C1)NC(=O)S2
4-Chloro-3-nitrobenzophenone, 99%
CAS: 56107-02-9 Molecular Formula: C13H8ClNO3 Molecular Weight (g/mol): 261.66 MDL Number: MFCD00007081 InChI Key: YBDBYPQFIMSFJW-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrobenzophenone,methanone, 4-chloro-3-nitrophenyl phenyl,benzophenone, 4-chloro-3-nitro,4-chloro-3-nitrophenyl phenyl methanone,3-nitro-4-chlorobenzophenone,chembl53270,4-chloro-3-nitrophenyl-phenylmethanone,4-chloro-3-nitro-phenyl-phenyl-methanone,4-chloro-3-nitrophenyl phenyl ketone,acmc-20amlb PubChem CID: 41743 IUPAC Name: (4-chloro-3-nitrophenyl)-phenylmethanone SMILES: [O-][N+](=O)C1=CC(=CC=C1Cl)C(=O)C1=CC=CC=C1
3-Chlorobenzophenone, 98+%
CAS: 1016-78-0 Molecular Formula: C13H9ClO Molecular Weight (g/mol): 216.664 MDL Number: MFCD00009816 InChI Key: CPLWKNRPZVNELG-UHFFFAOYSA-N Synonym: 3-chlorobenzophenone,3-chlorophenyl phenyl methanone,benzophenone, 3-chloro,methanone, 3-chlorophenyl phenyl,m-chlorobenzophenone,3-chlorophenyl-phenylmethanone,methanone, 3-chlorophenyl pheny,3-chlorophenyl phenyl ketone,5-chlorobenzophenone,pubchem24414 PubChem CID: 66098 IUPAC Name: (3-chlorophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Cl
Thermo Scientific Chemicals Eosin Yellowish
CAS: 17372-87-1 Molecular Formula: C20H12Br4Na2O8 Molecular Weight (g/mol): 745.904 MDL Number: MFCD00133309 InChI Key: MASXMTNVNASWNH-UHFFFAOYSA-L Synonym: eosin yellowish,eosine,bromo acid,eosine yellowish,eosine g,bromoeosine,c.i. acid red 87,sodium eosine,sodium eosinate,eosine salt free PubChem CID: 91886399 IUPAC Name: disodium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate;trihydrate SMILES: C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].O.O.O.[Na+].[Na+]
4-Hydroxy-3,5-dimethoxyphenylacetic acid, 97%
CAS: 4385-56-2 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.201 MDL Number: MFCD00016834 InChI Key: BQBQKSSTFGCRQL-UHFFFAOYSA-N Synonym: 3,5-dimethoxy-4-hydroxyphenylacetic acid,homosyringic acid,2-4-hydroxy-3,5-dimethoxyphenyl acetic acid,4-hydroxy-3,5-dimethoxyphenyl acetic acid,4-hydroxy-3,5-dimethoxyphenylacetic acid,benzeneacetic acid, 4-hydroxy-3,5-dimethoxy,acmc-1aewn,benzeneacetic acid,4-hydroxy-3,5-dimethoxy,4-hydroxy-3,5-dimethoxy-phenyl-acetic acid,4-hydroxy-3,5-dimethoxyphenyl acetic acid # PubChem CID: 78093 IUPAC Name: 2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid SMILES: COC1=CC(=CC(=C1O)OC)CC(=O)O
(R)-(-)-2-Benzylamino-1-butanol, 99%, Thermo Scientific Chemicals
CAS: 6257-49-4 Molecular Formula: C11H17NO Molecular Weight (g/mol): 179.263 MDL Number: MFCD00085354 InChI Key: PGFBTQBTIYCCFJ-LLVKDONJSA-N Synonym: r-2-benzylamino butan-1-ol,2r-2-benzylamino butan-1-ol,r---2-benzylamino-1-butanol,r-2-benzylamino-1-butanol,2-benzylamino-1-butanol #,r---n-benzyl-2-amino-1-butanol,2r-2-phenylmethyl amino-1-butanol,pound r pound c---2-benzylamino butan-1-ol PubChem CID: 927306 IUPAC Name: (2R)-2-(benzylamino)butan-1-ol SMILES: CCC(CO)NCC1=CC=CC=C1
4-tert-Butylthiophenol, 97%
CAS: 2396-68-1 Molecular Formula: C10H14S Molecular Weight (g/mol): 166.282 MDL Number: MFCD00022067 InChI Key: GNXBFFHXJDZGEK-UHFFFAOYSA-N Synonym: 4-tert-butylthiophenol,p-tert-butylthiophenol,benzenethiol, p-tert-butyl,p-tert-butylbenzenethiol,p-t-butylthiophenol,p-tert-butylphenyl mercaptan,benzenethiol, 4-1,1-dimethylethyl,benzenethiol, p-tert-butylthio,4-tert-butyl thiophenol,4-t-butylthiophenol PubChem CID: 75454 IUPAC Name: 4-tert-butylbenzenethiol SMILES: CC(C)(C)C1=CC=C(C=C1)S
(S)-(-)-1-Phenylpropyl isocyanate, 95%
CAS: 164033-12-9 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD05664090 InChI Key: XGPXXSJFZSZULR-JTQLQIEISA-N Synonym: s---1-phenylpropyl isocyanate,s-1-phenylpropyl isocyanate,1s-1-isocyanatopropyl benzene,benzene, 1-isocyanatopropyl-, s,5-1-isocyanatopropyl benzene,s-1-isocyanatopropyl benzene,benzene, 1s-1-isocyanatopropyl PubChem CID: 7018275 IUPAC Name: [(1S)-1-isocyanatopropyl]benzene SMILES: CCC(C1=CC=CC=C1)N=C=O
1-Nitro-4-n-propylbenzene, 96%
CAS: 10342-59-3 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00051839 InChI Key: SXQBFCVVZIYXHV-UHFFFAOYSA-N Synonym: 1-nitro-4-propyl-benzene,1-nitro-4-n-propylbenzene,4-nitro-n-propylbenzene,4-propylnitrobenzene,benzene, 1-nitro-4-propyl,p-nitropropylbenzene,p-propylnitrobenzene,1-nitro-4-propylbenzol PubChem CID: 82559 IUPAC Name: 1-nitro-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)[N+]([O-])=O
Xylometazoline Hydrochloride, Spectrum™ Chemical
CAS: 1218-35-5 Molecular Formula: C16H25ClN2 Molecular Weight (g/mol): 280.84 InChI Key: YGWFCQYETHJKNX-UHFFFAOYSA-N IUPAC Name: hydrogen 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole chloride SMILES: [H+].[Cl-].CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C
Hexestrol, 98+%, Thermo Scientific Chemicals
CAS: 84-16-2 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.37 MDL Number: MFCD00068996 InChI Key: PBBGSZCBWVPOOL-UHFFFAOYNA-N Synonym: hexestrol,meso-hexestrol,hexoestrol,hexanoestrol,hexestrofen,mesohexestrol,erythrohexestrol,estra-plex,cycloestrol,estrifar PubChem CID: 192197 SMILES: CCC(C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
4-tert-Pentylphenol, 99%
CAS: 80-46-6 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00002369 InChI Key: NRZWYNLTFLDQQX-UHFFFAOYSA-N Synonym: 4-tert-amylphenol,4-tert-pentylphenol,p-tert-amylphenol,p-tert-pentylphenol,4-t-amylphenol,4-1,1-dimethylpropyl phenol,amilphenol,amilfenol,pentaphen,tert-amylphenol PubChem CID: 6643 ChEBI: CHEBI:35096 IUPAC Name: 4-(2-methylbutan-2-yl)phenol SMILES: CCC(C)(C)C1=CC=C(C=C1)O
4-(tert-Butyl)benzylchloride, 97%
CAS: 19692-45-6 Molecular Formula: C11H15Cl Molecular Weight (g/mol): 182.69 MDL Number: MFCD00000918 InChI Key: WAXIFMGAKWIFDQ-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene PubChem CID: 88198 IUPAC Name: 1-tert-butyl-4-(chloromethyl)benzene SMILES: CC(C)(C)C1=CC=C(CCl)C=C1
4-(tert-Butyl)phenyl isothiocyanate, 97%, Thermo Scientific™
CAS: 19241-24-8 Molecular Formula: C11H13NS Molecular Weight (g/mol): 191.292 MDL Number: MFCD00022059 InChI Key: OCGNNCBNRBTUCG-UHFFFAOYSA-N PubChem CID: 140503 IUPAC Name: 1-tert-butyl-4-isothiocyanatobenzene SMILES: CC(C)(C)C1=CC=C(C=C1)N=C=S
4-tert-Butylbenzylamine, 97%
CAS: 39895-55-1 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.26 MDL Number: MFCD00040754 InChI Key: MPWSRGAWRAYBJK-UHFFFAOYSA-N Synonym: 4-tert-butylbenzylamine,4-tert-butylphenyl methanamine,4-t-butylbenzylamine,1-4-tert-butylphenyl methanamine,4-tert-butyl-benzylamine,4-tert-butyl phenyl methanamine,4-tert-butyl phenyl methylamine,4t-butylbenzylamine,p-t-butylbenzylamine,4-tertbutylbenzylamine PubChem CID: 2735655 IUPAC Name: (4-tert-butylphenyl)methanamine SMILES: CC(C)(C)C1=CC=C(C=C1)CN