3-Chloro-6-methyl-1-benzothiophene-2-carbonyl chloride supplier

Name
3-CHLORO-6-METHYL-BENZO[B]THIOPHENE-2-CARBONYL CHLORIDE
EINECS
CAS No. 34576-87-9
Article Data9
CAS DataBase
Density 1.462 g/cm³
Solubility
Melting Point
Formula C₁₀H₆Cl₂OS
Boiling Point 357.606 °C at 760 mmHg
Molecular Weight 245.129
Flash Point 170.074 °C
Transport Information
Appearance
Safety
Risk Codes 8:;
Molecular Structure
Hazard Symbols
Synonyms 3-Chloro-6-methylbenzo[b]thiophene-2-carbonylchloride;
PSA 45.31000
LogP 4.24210

3-Chloro-6-methyl-1-benzothiophene-2-carbonyl chloride Specification

The 3-Chloro-6-methyl-1-benzothiophene-2-carbonyl chloride, with the CAS registry number 34576-87-9, is also known as 3-Chloro-6-methylbenzo[b]thiophene-2-carbonylchloride. This chemical's molecular formula is C₁₀H₆Cl₂OS and molecular weight is 245.13. What's more, its systematic name is 3-Chloro-6-methyl-1-benzothiophene-2-carbonyl chloride.

Physical properties of 3-Chloro-6-methyl-1-benzothiophene-2-carbonyl chloride are: (1)ACD/LogP: 4.929; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.93; (4)ACD/LogD (pH 7.4): 4.93; (5)ACD/BCF (pH 5.5): 3283.20; (6)ACD/BCF (pH 7.4): 3283.20; (7)ACD/KOC (pH 5.5): 11443.53; (8)ACD/KOC (pH 7.4): 11443.53; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 62.444 cm³; (15)Molar Volume: 167.663 cm³; (16)Polarizability: 24.755×10^-24cm³; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.462 g/cm³; (19)Flash Point: 170.074 °C; (20)Enthalpy of Vaporization: 60.3 kJ/mol; (21)Boiling Point: 357.606 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c2sc1cc(C)ccc1c2Cl
(2)Std. InChI: InChI=1S/C10H6Cl2OS/c1-5-2-3-6-7(4-5)14-9(8(6)11)10(12)13/h2-4H,1H3
(3)Std. InChIKey: UHRYEWIAYLVOIT-UHFFFAOYSA-N

Product Name

3-CHLORO-6-METHYL-BENZO[B]THIOPHENE-2-CARBONYL CHLORIDE

3-Chloro-6-methyl-1-benzothiophene-2-carbonyl chloride Specification

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