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Thiophene, 2-bromo-3-chloro-

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Name

Thiophene, 2-bromo-3-chloro-

EINECS N/A
CAS No. 77893-68-6 Density 1.844 g/cm3
PSA 28.24000 LogP 3.16400
Solubility N/A Melting Point N/A
Formula C4H2BrClS Boiling Point 202.5 °C at 760 mmHg
Molecular Weight 197.48 Flash Point 76.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 77893-68-6 (2-Bromo-3-chlorothiophene) Hazard Symbols N/A
Synonyms

2-Bromo-3-chlorothiophene;

Article Data 13

Thiophene, 2-bromo-3-chloro- Specification

The Thiophene, 2-bromo-3-chloro-, has the CAS registry number of 77893-68-6. This chemical's molecular formula is C4H2BrClS. What's more, its systematic name is 2-Bromo-3-chlorothiophene.

Physical properties about Thiophene, 2-bromo-3-chloro- are: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 193.72; (6)ACD/BCF (pH 7.4): 193.72; (7)ACD/KOC (pH 5.5): 1509.29; (8)ACD/KOC (pH 7.4): 1509.29; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.24 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 37.22 cm3; (15)Molar Volume: 107 cm3; (16)Polarizability: 14.75×10-24 cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.844 g/cm3; (19)Flash Point: 76.3 °C; (20)Enthalpy of Vaporization: 42.08 kJ/mol; (21)Boiling Point: 202.5 °C at 760 mmHg; (22)Vapour Pressure: 0.415 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccsc1Br
(2) InChI: InChI=1/C4H2BrClS/c5-4-3(6)1-2-7-4/h1-2H
(3) InChIKey: MHRHSJIWGVBMLY-UHFFFAOYAA

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