CAS 94-52-0|5-Nitrobenzimidazole

Introduction:Basic information about CAS 94-52-0|5-Nitrobenzimidazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name5-Nitrobenzimidazole
CAS Number94-52-0Molecular Weight163.133
Density1.5±0.1 g/cm3Boiling Point475.7±18.0 °C at 760 mmHg
Molecular FormulaC7H5N3O2Melting Point207-210 °C
MSDS/Flash Point241.5±21.2 °C

Names

Name5-Nitrobenzimidazole
SynonymMore Synonyms

Chemical & Physical Properties

Density1.5±0.1 g/cm3
Boiling Point475.7±18.0 °C at 760 mmHg
Melting Point207-210 °C
Molecular FormulaC7H5N3O2
Molecular Weight163.133
Flash Point241.5±21.2 °C
Exact Mass163.038177
PSA74.50000
LogP1.64
Vapour Pressure0.0±1.1 mmHg at 25°C
Index of Refraction1.741
InChIKeyXPAZGLFMMUODDK-UHFFFAOYSA-N
SMILESO=[N+]([O-])c1ccc2nc[nH]c2c1
StabilityStable. Combustible. Incompatible with strong oxidizing agents, strong bases.
Water Solubility<0.01 g/100 mL at 16.5 ºC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DD9800000
CHEMICAL NAME :
Benzimidazole, 6-nitro-
CAS REGISTRY NUMBER :
94-52-0
LAST UPDATED :
199712
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C7-H5-N3-O2
MOLECULAR WEIGHT :
163.15
WISWESSER LINE NOTATION :
T56 BM DNJ HNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
160 gm/kg/78W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
79 gm/kg/78W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
33 ug/plate
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 8(Suppl 7),1,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1627 No. of Facilities: 302 (estimated) No. of Industries: 8 No. of Occupations: 13 No. of Employees: 4272 (estimated) No. of Female Employees: 1988 (estimated)

Safety Information

Hazard CodesXn:Harmful;
Risk PhrasesR22;R40
Safety PhrasesS26-S45-S36/37
RIDADR2811
WGK Germany3
RTECSDD9800000
HS Code29339990

Customs

HS Code2933990090
Summary2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

5-Nitrobenzimidazole
EINECS 202-341-2
6-nitro-benzimidazol
5-nitro-benzimidazol
5-Nrtiobenzimidazole
1H-Benzimidazole, 6-nitro-
5-Nitro-1H-benzimidazole
6-Nitrobenzimidazole
6-nitrobenzimdazole
MFCD00005604
Benzimidazole,5-nitro
5-nitrobenzoimidazole
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