Acetic acid,2-[(2-chloro-4-nitrophenyl)thio]- supplier

Name
2-[(2-CHLORO-4-NITROPHENYL)SULFANYL]ACETIC ACID
EINECS
CAS No. 30880-64-9
Article Data2
CAS DataBase
Density 1.6 g/cm³
Solubility
Melting Point 108-110
Formula C₈H₆ClNO₄S
Boiling Point 415.5 °C at 760 mmHg
Molecular Weight 247.66
Flash Point 205.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Aceticacid, [(2-chloro-4-nitrophenyl)thio]- (8CI,9CI);[(2-chloro-4-nitrophenyl)sulfanyl]acetic acid;acetic acid, 2-[(2-chloro-4-nitrophenyl)thio]-;
PSA 108.42000
LogP 2.94810

Acetic acid,2-[(2-chloro-4-nitrophenyl)thio]- Specification

The Acetic acid,2-[(2-chloro-4-nitrophenyl)thio]-, with the CAS registry number 30880-64-9, has the systematic name of [(2-chloro-4-nitrophenyl)sulfanyl]acetic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₆ClNO₄S.

The characteristics of Acetic acid,2-[(2-chloro-4-nitrophenyl)thio]- are as followings: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): -0.88; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.39; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 97.42 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 56.53 cm³; (15)Molar Volume: 154.6 cm³; (16)Polarizability: 22.41×10^-24cm³; (17)Surface Tension: 73.2 dyne/cm; (18)Density: 1.6 g/cm³; (19)Flash Point: 205.1 °C; (20)Enthalpy of Vaporization: 70.5 kJ/mol; (21)Boiling Point: 415.5 °C at 760 mmHg; (22)Vapour Pressure: 1.2E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(ccc1SCC(=O)O)[N+]([O-])=O
(2)InChI: InChI=1/C8H6ClNO4S/c9-6-3-5(10(13)14)1-2-7(6)15-4-8(11)12/h1-3H,4H2,(H,11,12)
(3)InChIKey: RGWSUIQZUKJGEQ-UHFFFAOYAI

Product Name

2-[(2-CHLORO-4-NITROPHENYL)SULFANYL]ACETIC ACID

Acetic acid,2-[(2-chloro-4-nitrophenyl)thio]- Specification

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