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CAS No.: | 306937-25-7 |
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Name: | 4,6-DICHLORO-1H-INDOLE-2-CARBONYL CHLORIDE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C9H4Cl3NO |
Molecular Weight: | 248.496 |
Synonyms: | 4,6-dichloro-1H-indole-2-carbonyl chloride;1H-indole-2-carbonyl chloride, 4,6-dichloro-; |
Density: | 1.632 g/cm3 |
Melting Point: | 173 °C |
Boiling Point: | 404.9 °C at 760 mmHg |
Flash Point: | 198.7 °C |
Hazard Symbols: | R34:Causes burns.; |
Risk Codes: | C:Corrosive; "> C:Corrosive; |
PSA: | 32.86000 |
LogP: | 3.85370 |
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The 1H-Indole-2-carbonylchloride, 4,6-dichloro-, with the CAS registry number 306937-25-7, has the systematic name of 4,6-dichloro-1H-indole-2-carbonyl chloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H4Cl3NO.
The characteristics of 1H-Indole-2-carbonylchloride, 4,6-dichloro- are as followings: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 22 Å2; (7)Index of Refraction: 1.696; (8)Molar Refractivity: 58.56 cm3; (9)Molar Volume: 152.1 cm3; (10)Polarizability: 23.21×10-24cm3; (11)Surface Tension: 61.5 dyne/cm; (12)Density: 1.632 g/cm3; (13)Flash Point: 198.7 °C; (14)Enthalpy of Vaporization: 65.65 kJ/mol; (15)Boiling Point: 404.9 °C at 760 mmHg; (16)Vapour Pressure: 9.1E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(=O)c2cc1c(cc(Cl)cc1Cl)n2
(2)InChI: InChI=1/C9H4Cl3NO/c10-4-1-6(11)5-3-8(9(12)14)13-7(5)2-4/h1-3,13H
(3)InChIKey: ZNJASLMFOWLAOR-UHFFFAOYAC