5-Nitrobenzimidazole supplier

Name
5-Nitrobenzimidazole
EINECS 202-341-2
CAS No. 94-52-0
Article Data75
CAS DataBase
Density 1.525 g/cm³
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
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);
PSA 74.50000
LogP 1.99430

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 NO_x. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
Hazard Codes: Xi Irritant ,Xn Harmful
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- .

Product Name

5-Nitrobenzimidazole