5-Thiazolecarbonitrile,2-bromo- supplier

Name
2-bromothiazole-5-carbonitrile
EINECS
CAS No. 440100-94-7
Article Data7
CAS DataBase
Density 1.97 g/cm³
Solubility
Melting Point
Formula C₄HBrN₂S
Boiling Point 276.1 °C at 760 mmHg
Molecular Weight 189.035
Flash Point 120.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-1,3-thiazole-5-carbonitrile;2-Bromothiazole-5-carbonitrile;
PSA 64.92000
LogP 1.77728

5-Thiazolecarbonitrile,2-bromo- Specification

The 5-Thiazolecarbonitrile, 2-bromo-, with the CAS registry number of 440100-94-7, is also known as 2-Bromo-5-cyanothiazole. This chemical's molecular formula is C₄HBrN₂S and molecular weight is 189.0331. What's more, its systematic name is called 2-Bromo-1, 3-thiazole-5-carbonitrile.

Physical properties about 5-Thiazolecarbonitrile, 2-bromo- are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.41; (6)ACD/BCF (pH 7.4): 6.41; (7)ACD/KOC (pH 5.5): 131.59; (8)ACD/KOC (pH 7.4): 131.59; (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: 1.65; (14)Molar Refractivity: 34.98 cm³; (15)Molar Volume: 95.8 cm³; (16)Surface Tension: 77.6 dyne/cm; (17)Density: 1.97 g/cm³; (18)Flash Point: 120.8 °C; (19)Enthalpy of Vaporization: 51.46 kJ/mol; (20)Boiling Point: 276.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0049 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cnc(Br)s1
(2) InChI: InChI=1/C4HBrN2S/c5-4-7-2-3(1-6)8-4/h2H
(3) InChIKey: RCVDPJMWWCIVJV-UHFFFAOYAJ

Product Name

2-bromothiazole-5-carbonitrile

5-Thiazolecarbonitrile,2-bromo- Specification

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