1-(Bromomethyl)-2-chloro-3-nitrobenzene supplier

Name
BENZENE, 1-(BROMOMETHYL)-2-CHLORO-3-NITRO-
EINECS
CAS No. 89642-16-0
Article Data4
CAS DataBase
Density 1.755 g/cm³
Solubility
Melting Point
Formula C₇H₅BrClNO₂
Boiling Point 332.1 °C at 760 mmHg
Molecular Weight 250.479
Flash Point 154.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Toluene, a-bromo-2-chloro-3-nitro- (7CI);2-Chloro-3-nitrobenzyl bromide;1-(Bromomethyl)-2-chloro-3-nitrobenzene;
PSA 45.82000
LogP 3.66630

1-(Bromomethyl)-2-chloro-3-nitrobenzene Specification

The 1-(Bromomethyl)-2-chloro-3-nitrobenzene with the CAS number 89642-16-0 is also called Benzene,1-(bromomethyl)-2-chloro-3-nitro-. Its molecular formula is C₇H₅BrClNO₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 119.52; (6)ACD/BCF (pH 7.4): 119.52; (7)ACD/KOC (pH 5.5): 1068.17; (8)ACD/KOC (pH 7.4): 1068.17; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 50.34 cm³; (15)Molar Volume: 142.7 cm³; (16)Polarizability: 19.95×10^-24cm³; (17)Surface Tension: 54.3 dyne/cm; (18)Enthalpy of Vaporization: 55.2 kJ/mol; (19)Vapour Pressure: 0.000289 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cccc(N(=O)=O)c1Cl
(2)InChI: InChI=1/C7H5BrClNO2/c8-4-5-2-1-3-6(7(5)9)10(11)12/h1-3H,4H2
(3)InChIKey: DRVMWOLRMDEQHK-UHFFFAOYAM

Product Name

BENZENE, 1-(BROMOMETHYL)-2-CHLORO-3-NITRO-

1-(Bromomethyl)-2-chloro-3-nitrobenzene Specification

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