1-Bromo-3-chloro-5-iodobenzene supplier

Name
1-Bromo-3-chloro-5-iodobenzene
EINECS
CAS No. 13101-40-1
Article Data5
CAS DataBase
Density 2.273 g/cm³
Solubility
Melting Point 85.8℃
Formula C₆H₃BrClI
Boiling Point 280.408 °C at 760 mmHg
Molecular Weight 317.351
Flash Point 123.386 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-BROMO-3-CHLORO-5-IODOBENZENE
PSA 0.00000
LogP 3.70710

1-Bromo-3-chloro-5-iodobenzene Specification

The Benzene,1-bromo-3-chloro-5-iodo-, with CAS registry number 13101-40-1, has the systematic name of 1-bromo-3-chloro-5-iodobenzene. Besides this, it is also called Benzene, 3-bromo-5-chloro-1-iodo-. And the chemical formula of this chemical is C₆H₃BrClI.

Physical properties of Benzene,1-bromo-3-chloro-5-iodo-: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.12; (4)ACD/LogD (pH 7.4): 4.12; (5)ACD/BCF (pH 5.5): 792.84; (6)ACD/BCF (pH 7.4): 792.84; (7)ACD/KOC (pH 5.5): 4138.47; (8)ACD/KOC (pH 7.4): 4138.47; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 51.74 cm³; (15)Molar Volume: 139.6 cm³; (16)Polarizability: 20.51×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 2.272 g/cm³; (19)Flash Point: 123.4 °C; (20)Enthalpy of Vaporization: 49.83 kJ/mol; (21)Boiling Point: 280.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00644 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Br)cc(I)c1
(2)InChI: InChI=1/C6H3BrClI/c7-4-1-5(8)3-6(9)2-4/h1-3H
(3)InChIKey: RSGRRCWDCXLEHS-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H3BrClI/c7-4-1-5(8)3-6(9)2-4/h1-3H
(5)Std. InChIKey: RSGRRCWDCXLEHS-UHFFFAOYSA-N

Product Name

1-Bromo-3-chloro-5-iodobenzene

1-Bromo-3-chloro-5-iodobenzene Specification

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