Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Chloro-6-methyl-1-benzothiophene-2-carbonyl chloride |
EINECS | N/A |
CAS No. | 34576-87-9 | Density | 1.462 g/cm3 |
PSA | 45.31000 | LogP | 4.24210 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H6Cl2OS | Boiling Point | 357.606 °C at 760 mmHg |
Molecular Weight | 245.129 | Flash Point | 170.074 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
8:; |
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Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Chloro-6-methylbenzo[b]thiophene-2-carbonylchloride; |
Article Data | 9 |
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