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| Name |
5-Nitrobenzimidazole |
EINECS | 202-341-2 |
| CAS No. | 94-52-0 | Density | 1.525 g/cm3 |
| PSA | 74.50000 | LogP | 1.99430 |
| Solubility | water: <0.01 g/100 mL at 16.5 °C | Melting Point |
207-210 °C |
| Formula | C7H5N3O2 | Boiling Point | 475.7 °C at 760 mmHg |
| Molecular Weight | 163.136 | Flash Point | 241.5 °C |
| Transport Information | N/A | Appearance | white or pale yellow powder |
| Safety | 26-45-36/37 | Risk Codes | 36/37/38-40-22 |
| Molecular Structure |
|
Hazard Symbols |
 Xi, Xn
|
| Synonyms |
NSC 58858;NSC 3068;6-Nitrobenzimidazole;6-Nitro-1H-benzimidazole;5-Nitro-1H-benzimidazole;5(6)-Nitrobenzimidazole;Benzimidazole,5-nitro- (8CI);Benzimidazole, 5(or 6)-nitro- (6CI,7CI);1H-Benzimidazole,5-nitro- (9CI); |
Article Data | 75 |
5-Nitrobenzimidazole Chemical Properties
The chemical structure of 6-Nitrobenzimidazole (CAS NO.94-52-0) is
Molecular Formula: C7H5N3O2.
Molecular Weight:163.13g/mol.
Melting Point: 207-210 oC
Boiling Point: 475.7 oC at 760 mmHg
Flash Point: 241.5 oC
Water Solubility: <0.01 g/100 mL at 16.5 oC
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
Index of Refraction: 1.74
Molar Refractivity: 43.16 cm3
Molar Volume: 106.9 cm3
Surface Tension: 80.5 dyne/cm
Density: 1.525 g/cm3
Enthalpy of Vaporization: 71.1 kJ/mol
Vapour Pressure: 9.35E-09 mmHg at 25 oC
Structure Descriptors of 6-Nitrobenzimidazole (CAS NO.94-52-0):
IUPAC Name: 6-nitro-1H-benzimidazole
Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])NC=N2
InChI: InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
InChIKey: XPAZGLFMMUODDK-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent ; Skin / Eye Irritant
5-Nitrobenzimidazole Uses
6-Nitrobenzimidazole (CAS NO.94-52-0) is used as sensitive reagents determinating of bismuth, cadmium, copper, etc,and rubber antioxidant, but also for preparation of pesticides. It also used as photographic materials.
5-Nitrobenzimidazole Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 185mg/kg (185mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: IRRITABILITY SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 57, Pg. 460, 1961. |
| mouse | LD50 | intravenous | 35mg/kg (35mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 364, 1962. |
| mouse | LD50 | oral | 140mg/kg (140mg/kg) | Therapie. Vol. 26, Pg. 1203, 1971. | |
| mouse | LD50 | subcutaneous | 260mg/kg (260mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 364, 1962. |
5-Nitrobenzimidazole Consensus Reports
NCI Carcinogenesis Bioassay (feed); Clear Evidence: mouse NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-117 ,1978. ; (feed); Negative: rat NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-117 ,1978. . Reported in EPA TSCA Inventory.
5-Nitrobenzimidazole Safety Profile
Moderately toxic by ingestion. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
Hazard Codes: Xi
,Xn
Risk Statements: 36/37/38-40-22
36/37/38: Irritating to eyes, respiratory system and skin
40: Limited evidence of a carcinogenic effect
22: Harmful if swallowed
Safety Statements: 26-45-36/37
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37: Wear suitable protective clothing and gloves
RIDADR: 2811
WGK Germany: 3
RTECS: DD9800000
HS Code: 29339990
5-Nitrobenzimidazole Specification
6-Nitrobenzimidazole (CAS NO.94-52-0) is also named 5(6)-nitrobenzimidazole ; 5-nitro-1h-benzimidazol ; 5-Nitro-1H-benzoimidazole ; 5-nitro-benzimidazol ; 6-nitro-benzimidazol ; Benzimidazole,5(or6)-nitro- ; Benzimidazole,5-nitro- .
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