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CAS No.: | 40032-81-3 |
---|---|
Name: | 2-Chloro-3-bromomethylthiophene |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C5H4BrClS |
Molecular Weight: | 211.51 |
Synonyms: | 2-Chloro-3-thienylbromide;3-(Bromomethyl)-2-chlorothiophene; |
Density: | 1.757 g/cm3 |
Boiling Point: | 225.062 °C at 760 mmHg |
Flash Point: | 89.914 °C |
PSA: | 28.24000 |
LogP: | 3.29640 |
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The CAS register number of 2-Chloro-3-bromomethylthiophene is 40032-81-3. It also can be called as Thiophene,3-(bromomethyl)-2-chloro- and the systematic name about this chemical is 3-(bromomethyl)-2-chlorothiophene. The molecular formula about this chemical is C5H4BrClS and molecular weight is 211.51. It belongs to the Thiophene & Benzothiophene.
Physical properties about 2-Chloro-3-bromomethylthiophene are: (1)ACD/LogP: 3.09; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 171; (5)ACD/BCF (pH 7.4): 171; (6)ACD/KOC (pH 5.5): 1381; (7)ACD/KOC (pH 7.4): 1381; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 28.24Å2; (10)Index of Refraction: 1.618; (11)Molar Refractivity: 42.18 cm3; (12)Molar Volume: 120.356 cm3; (13)Polarizability: 16.722x10-24cm3; (14)Surface Tension: 47.072 dyne/cm; (15)Flash Point: 89.914 °C; (16)Enthalpy of Vaporization: 44.28 kJ/mol; (17)Boiling Point: 225.062 °C at 760 mmHg; (18)Vapour Pressure: 0.132 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccsc1Cl
(2)InChI: InChI=1/C5H4BrClS/c6-3-4-1-2-8-5(4)7/h1-2H,3H2
(3)InChIKey: MEOQMCFEBDERJS-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C5H4BrClS/c6-3-4-1-2-8-5(4)7/h1-2H,3H2
(5)Std. InChIKey: MEOQMCFEBDERJS-UHFFFAOYSA-N