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CAS No.: | 77893-68-6 |
---|---|
Name: | 2-Bromo-3-chlorothiophene |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C4H2BrClS |
Molecular Weight: | 197.48 |
Synonyms: | 2-Bromo-3-chlorothiophene; |
Density: | 1.844 g/cm3 |
Boiling Point: | 202.5 °C at 760 mmHg |
Flash Point: | 76.3 °C |
PSA: | 28.24000 |
LogP: | 3.16400 |
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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