7-Chloro-4-bromoindole supplier

Name
4-BROMO-7-CHLORO-1H-INDOLE
EINECS 200-258-5
CAS No. 126811-30-1
Article Data3
CAS DataBase
Density 1.773g/cm³
Solubility
Melting Point
Formula C₈H₅BrClN
Boiling Point 345.818 °C at 760 mmHg
Molecular Weight 230.491
Flash Point 162.945 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Indole, 4-bromo-7-chloro-;4-BROMO-7-CHLORO-1H-INDOLE;LogP
PSA 15.79000
LogP 3.58380

7-Chloro-4-bromoindole Specification

The 4-Bromo-7-chloro-indole, with CAS registry number 126811-30-1, has the systematic name of 4-bromo-7-chloro-1H-indole. Besides this, it is also called 7-Chloro-4-bromoindole. And the chemical formula of this chemical is C₈H₅BrClN.

Physical properties of 4-Bromo-7-chloro-indole: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.383; (4)ACD/LogD (pH 7.4): 3.383; (5)ACD/BCF (pH 5.5): 219.409; (6)ACD/BCF (pH 7.4): 219.409; (7)ACD/KOC (pH 5.5): 1649.974; (8)ACD/KOC (pH 7.4): 1649.974; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.79 Å²; (13)Index of Refraction: 1.716; (14)Molar Refractivity: 51.114 cm³; (15)Molar Volume: 130.007 cm³; (16)Polarizability: 20.263×10^-24cm³; (17)Surface Tension: 56.908 dyne/cm; (18)Density: 1.773 g/cm³; (19)Flash Point: 162.945 °C; (20)Enthalpy of Vaporization: 56.66 kJ/mol; (21)Boiling Point: 345.818 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c2cc[nH]c2c1Cl)Br
(2)InChI: InChI=1/C8H5BrClN/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,11H
(3)InChIKey: ABBUZRXDYLQKRH-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H5BrClN/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,11H
(5)Std. InChIKey: ABBUZRXDYLQKRH-UHFFFAOYSA-N

Product Name

4-BROMO-7-CHLORO-1H-INDOLE

7-Chloro-4-bromoindole Specification

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