2-Chlorothiazole-5-carbonitrile supplier

Name
2-CHLOROTHIAZOLE-5-CARBONITRILE
EINECS
CAS No. 51640-36-9
Article Data12
CAS DataBase
Density 1.53 g/cm³
Solubility
Melting Point 47-49 °C
Formula C₄HClN₂S
Boiling Point 291.1 °C at 760 mmHg
Molecular Weight 144.584
Flash Point 129.9 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Chloro-1,3-thiazole-5-carbonitrile;2-Chloro-5-cyanothiazole;2-Chlorothiazole-5-carbonitrile;2-chloro-1,3-thiazole-5-carbonitrile;5-thiazolecarbonitrile, 2-chloro-;2-Chloro-1,3-thiazole-5-carbonitrile;
PSA 64.92000
LogP 1.66818

2-Chlorothiazole-5-carbonitrile Specification

The 5-Thiazolecarbonitrile,2-chloro-, with the CAS registry number 51640-36-9, has the systematic name of 2-chloro-1,3-thiazole-5-carbonitrile. It is a kind of irritant chemical, and belongs to the following product categories: Thiazole series; Thiazoles, Isothiazoles & Benzothiazoles. And the molecular formula of this chemical is C₄HClN₂S.

The physical properties of 5-Thiazolecarbonitrile,2-chloro- are as followings: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1.24; (6)ACD/BCF (pH 7.4): 1.24; (7)ACD/KOC (pH 5.5): 40.63; (8)ACD/KOC (pH 7.4): 40.63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 64.92 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 32.08 cm³; (15)Molar Volume: 93.9 cm³; (16)Polarizability: 12.72×10^-24cm³; (17)Surface Tension: 68.7 dyne/cm; (18)Density: 1.53 g/cm³; (19)Flash Point: 129.9 °C; (20)Enthalpy of Vaporization: 53.05 kJ/mol; (21)Boiling Point: 291.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00199 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1sc(Cl)nc1
(2)InChI: InChI=1/C4HClN2S/c5-4-7-2-3(1-6)8-4/h2H
(3)InChIKey: BAFLVXULMMAKMM-UHFFFAOYAF

Product Name

2-CHLOROTHIAZOLE-5-CARBONITRILE

2-Chlorothiazole-5-carbonitrile Specification

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