Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Dibromonitromethane |
EINECS | N/A |
CAS No. | 598-91-4 | Density | 2.587g/cm3 |
PSA | 45.82000 | LogP | 1.85970 |
Solubility | N/A | Melting Point |
N/A |
Formula | CHBr2NO2 | Boiling Point | 152.7 °C at 760 mmHg |
Molecular Weight | 218.832 | Flash Point | 46.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Dibromonitromethane (water disinfection byproducts);Methane, dibromonitro-;Dibromonitromethane; |
Article Data | 6 |
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, |