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4-[(4-Methylphenyl)Sulfanyl]-3-Nitrobenzoic Acid
[CAS# 219929-89-2]

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Identification
Name 4-[(4-Methylphenyl)Sulfanyl]-3-Nitrobenzoic Acid
Synonyms 3-Nitro-4-p-tolylsulfanyl-benzoic acid; 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxylic acid; BENZOIC ACID,4-[(4-METHYLPHENYL)THIO]-3-NITRO-
Molecular Structure CAS#: 219929-89-2, 4-[(4-Methylphenyl)Sulfanyl]-3-Nitrobenzoic Acid
Molecular Formula C14H11NO4S
Molecular Weight 289.31
CAS Registry Number 219929-89-2
SMILES [O-][N+](=O)c2cc(ccc2Sc1ccc(cc1)C)C(=O)O
InChI 1S/C14H11NO4S/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3,(H,16,17)
InChIKey XXUBZSQLPIRCFW-UHFFFAOYSA-N
Properties
Density 1.429g/cm3 (Cal.)
Melting point 211-213°C (Expl.)
Boiling point 464.752°C at 760 mmHg (Cal.)
Flash point 234.874°C (Cal.)
Refractive index 1.679 (Cal.)
Safety Data
SDS Available
Market Analysis Reports
List of Reports Available for 4-[(4-Methylphenyl)Sulfanyl]-3-Nitrobenzoic Acid
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