3-(Bromomethyl)-7-chloro benzo[b]thiophene supplier

Name
3-(BROMOMETHYL)-7-CHLORO BENZO[B]THIOPHENE
EINECS 1308068-626-2
CAS No. 17512-61-7
Article Data5
CAS DataBase
Density 1.693 g/cm³
Solubility
Melting Point
Formula C₉H₆BrClS
Boiling Point 345.5 °C at 760 mmHg
Molecular Weight 261.57
Flash Point 162.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Bromomethyl)-7-chlorobenzo[b]thiophene;FI 7009;
PSA 28.24000
LogP 4.44960

3-(Bromomethyl)-7-chloro benzo[b]thiophene Specification

The 3-(Bromomethyl)-7-chloro benzo[b]thiophene is an organic compound with the formula C₉H₆BrClS. The systematic name of this chemical is 3-(bromomethyl)-7-chloro-1-benzothiophene. With the CAS registry number 17512-61-7, it is also named as benzo[b]thiophene, 3-(bromomethyl)-7-chloro-. In addition, the molecular weight is 259.91.

The other characteristics of 3-(Bromomethyl)-7-chloro benzo[b]thiophene can be summarized as: (1)ACD/LogP: 5.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.68; (4)ACD/LogD (pH 7.4): 5.68; (5)ACD/BCF (pH 5.5): 12123.11; (6)ACD/BCF (pH 7.4): 12123.11; (7)ACD/KOC (pH 5.5): 29150.07; (8)ACD/KOC (pH 7.4): 29150.07; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.704; (14)Molar Refractivity: 60.02 cm³; (15)Molar Volume: 154.4 cm³; (16)Polarizability: 23.79×10^-24 cm³; (17)Surface Tension: 54.1 dyne/cm; (18)Density: 1.693 g/cm³; (19)Flash Point: 162.8 °C; (20)Enthalpy of Vaporization: 56.63 kJ/mol; (21)Boiling Point: 345.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000122 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc2cccc1c2scc1CBr
2. InChI:InChI=1/C9H6BrClS/c10-4-6-5-12-9-7(6)2-1-3-8(9)11/h1-3,5H,4H2
3. InChIKey:OFKWTWJUANJQNU-UHFFFAOYAJ
4. Std. InChI:InChI=1S/C9H6BrClS/c10-4-6-5-12-9-7(6)2-1-3-8(9)11/h1-3,5H,4H2
5. Std. InChIKey:OFKWTWJUANJQNU-UHFFFAOYSA-N

Product Name

3-(BROMOMETHYL)-7-CHLORO BENZO[B]THIOPHENE

3-(Bromomethyl)-7-chloro benzo[b]thiophene Specification

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