Home >> Chemicals Listing >> hot product list by D  

Dibromonitromethane (598-91-4)

Identification
Name:Dibromonitromethane
Synonyms:Dibromonitromethane (water disinfection byproducts);Methane, dibromonitro-;Dibromonitromethane;
CAS:598-91-4
Molecular Formula: CHBr2NO2
Molecular Weight: 218.83
InChI: InChI=1/CHBr2NO2/c2-1(3)4(5)6/h1H
Molecular Structure: (CHBr2NO2) Dibromonitromethane (water disinfection byproducts);Methane, dibromonitro-;Dibromonitromethane;
Properties
Flash Point: 46.1°C
Boiling Point: 152.7°C at 760 mmHg
Density:2.587
Refractive index:1.579
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,

Flash Point: 46.1°C
Safety Data
 

Other Product