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CAS No.: | 31928-44-6 |
---|---|
Name: | 2-BROMO-4-CHLORO-1-IODOBENZENE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C6H3BrClI |
Molecular Weight: | 317.351 |
Synonyms: | 2-Bromo-4-chloroiodobenzene; |
EINECS: | 608-682-7 |
Density: | 2.272 g/cm3 |
Melting Point: | 32-35℃ |
Boiling Point: | 278.9 °C at 760 mmHg |
Flash Point: | 122.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37 |
PSA: | 0.00000 |
LogP: | 3.70710 |
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The Benzene, 2-bromo-4-chloro-1-iodo-, with the CAS registry number 31928-44-6, is also known as 2-Bromo-4-chloroiodobenzene. It belongs to the product categories of Bromine Compounds; Chlorine Compounds; Iodine Compounds. This chemical's molecular formula is C6H3BrClI and molecular weight is 317.35. What's more, its systematic name is 2-Bromo-4-chloro-1-iodo-benzene.In addition, it must be stored in airtight containers and placed in a dry, cool place. And you should ensure the work place is well-ventilated. Besides, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzene, 2-bromo-4-chloro-1-iodo- are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 4.41; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Vapour Pressure: 0.00701 mmHg at 25 °C; (9)Index of Refraction: 1.663; (10)Molar Refractivity: 51.74 cm3; (11)Molar Volume: 139.6 cm3; (12)Polarizability: 20.51×10-24 cm3; (13)Surface Tension: 48.8 dyne/cm; (14)Density: 2.272 g/cm3; (15)Flash Point: 122.5 °C; (16)Enthalpy of Vaporization: 49.68 kJ/mol; (17)Boiling Point: 278.9 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(Br)c(I)cc1
(2) InChI: InChI=1/C6H3BrClI/c7-5-3-4(8)1-2-6(5)9/h1-3H
(3) InChIKey: CXHXFDQEFKFYQJ-UHFFFAOYAP