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Cas Database |
| Name |
p-Nitrophenylthiol acetate |
EINECS | N/A |
| CAS No. | 15119-62-7 | Density | 1.34g/cm3 |
| PSA | 88.19000 | LogP | 2.75660 |
| Solubility | N/A | Melting Point |
81-82 °C |
| Formula | C8H7 N O3 S | Boiling Point | 334.9°Cat760mmHg |
| Molecular Weight | 197.214 | Flash Point | 156.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | Moderately toxic by ingestion. |
| 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 |
Article Data | 12 |
p-Nitrophenylthiol acetate Chemical Properties
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
p-Nitrophenylthiol acetate 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. |
p-Nitrophenylthiol acetate Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
p-Nitrophenylthiol acetate 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) .
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