Dibromonitromethane supplier

Name
DIBROMONITROMETHANE
EINECS
CAS No. 598-91-4
Article Data6
CAS DataBase
Density 2.587g/cm³
Solubility
Melting Point
Formula CHBr₂NO₂
Boiling Point 152.7 °C at 760 mmHg
Molecular Weight 218.832
Flash Point 46.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Dibromonitromethane (water disinfection byproducts);Methane, dibromonitro-;Dibromonitromethane;
PSA 45.82000
LogP 1.85970

Dibromonitromethane Specification

The cas register number of Dibromonitromethane is 598-91-4. It also can be called as dibromo-nitro-methane and the IUPAC Name about this chemical is dibromo(nitro)methane.

Physical properties about Dibromonitromethane are: (1)ACD/LogP: 2.16; (2)ACD/LogD (pH 5.5): -0.34; (3)ACD/LogD (pH 7.4): -0.34; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.12; (7)ACD/KOC (pH 7.4): 1.12; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82Å²; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 28.12 cm³; (13)Molar Volume: 84.5 cm³; (14)Polarizability: 11.15x10^-24cm³; (15)Surface Tension: 56.8 dyne/cm; (16)Enthalpy of Vaporization: 38.95 kJ/mol; (17)Vapour Pressure: 3.46 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C([N+](=O)[O-])(Br)Br
(2)InChI: InChI=1S/CHBr2NO2/c2-1(3)4(5)6/h1H
(3)InChIKey: GQEVYCCMYUNRHJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	86mg/kg (86mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA	National Technical Information Service. Vol. OTS0538352,

Product Name

DIBROMONITROMETHANE

Dibromonitromethane Specification

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