Benzenemethanethiol,4-nitro- supplier

Name
4-nitrobenzyl mercaptan
EINECS
CAS No. 26798-33-4
Article Data27
CAS DataBase
Density 1.285 g/cm³
Solubility
Melting Point 52-56°C
Formula C₇H₇NO₂
Boiling Point 311.9 °C at 760 mmHg
Molecular Weight 169.204
Flash Point 142.4 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Nitrobenzenemethanethiol;4-Nitrobenzyl mercaptan;
PSA 84.62000
LogP 2.54780

Benzenemethanethiol,4-nitro- Specification

The Benzenemethanethiol,4-nitro-, with the CAS registry number 26798-33-4, is also known as 4-Nitrobenzyl mercaptan. This chemical's molecular formula is C₇H₇NO₂S and molecular weight is 169.20. What's more, its systematic name is (4-Nitrophenyl)methanethiol.

Physical properties of Benzenemethanethiol,4-nitro- are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 71.12 Å²; (7)Index of Refraction: 1.609; (8)Molar Refractivity: 45.61 cm³; (9)Molar Volume: 131.6 cm³; (10)Polarizability: 18.08×10^-24 cm³; (11)Surface Tension: 50.8 dyne/cm; (12)Density: 1.285 g/cm³; (13)Flash Point: 142.4 °C; (14)Enthalpy of Vaporization: 53.08 kJ/mol; (15)Boiling Point: 311.9 °C at 760 mmHg; (16)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)CS
(2)InChI: InChI=1/C7H7NO2S/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2
(3)InChIKey: ACFHLWCEZHYYKX-UHFFFAOYAV

Product Name

4-nitrobenzyl mercaptan

Benzenemethanethiol,4-nitro- Specification

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