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15119-62-7

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Basic Information
CAS No.: 15119-62-7
Name: 4-nitrophenylthiol acetate
Article Data: 12
Molecular Structure:
Molecular Structure of 15119-62-7 (4-nitrophenylthiol acetate)
Formula: C8H7 N O3 S
Molecular Weight: 197.214
Synonyms: Aceticacid, thio-, S-(p-nitrophenyl) ester (7CI,8CI); Benzenethiol, p-nitro-, acetate(6CI); 4-Nitrophenyl thiolacetate; S-(4-Nitrophenyl)thioacetate;S-(p-Nitrophenyl) thioacetate; S-4-Nitrophenyl ethanethioate;p-Nitrophenylthiol acetate
Density: 1.34g/cm3
Melting Point: 81-82 °C
Boiling Point: 334.9°Cat760mmHg
Flash Point: 156.3°C
Hazard Symbols: Moderately toxic by ingestion.
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
PSA: 88.19000
LogP: 2.75660
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Chemistry

Product Name: p-Nitrophenylthiol acetate (CAS NO.15119-62-7)


Molecular Formula: C8H7NO3S
Molecular Weight: 197.22g/mol
Mol File: 15119-62-7.mol
Boiling point: 334.9 °C at 760 mmHg
Flash Point: 156.3 °C
Density: 1.34 g/cm3
Surface Tension: 55.2 dyne/cm
Enthalpy of Vaporization: 57.79 kJ/mol
Vapour Pressure: 0.000124 mmHg at 25°C
XLogP3-AA: 2
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of p-Nitrophenylthiol acetate (CAS NO.15119-62-7):
  IUPAC Name: S-(4-nitrophenyl) ethanethioate
  Canonical SMILES: CC(=O)SC1=CC=C(C=C1)[N+](=O)[O-]
  InChI: InChI=1S/C8H7NO3S/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3 
  InChIKey: QCGPFSMQZNLBCA-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 1179, 1969.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.

Specification

 p-Nitrophenylthiol acetate ,its CAS NO. is 15119-62-7,the synonyms is 4-Nitrophenylthiol acetate ; Benzenethiol, p-nitro-, acetate (6CI) ; S-(p-Nitrophenyl) thioacetate ; Acetic acid, thio-, S-(p-nitrophenyl) ester ; Ethanethioic acid, S-(4-nitrophenyl) ester (9CI) .