5-Nitrobenzimidazole

Modify Date: 2024-01-02 13:32:49

5-Nitrobenzimidazole Structure
5-Nitrobenzimidazole structure
Common Name 5-Nitrobenzimidazole
CAS Number 94-52-0 Molecular Weight 163.133
Density 1.5±0.1 g/cm3 Boiling Point 475.7±18.0 °C at 760 mmHg
Molecular Formula C7H5N3O2 Melting Point 207-210 °C
MSDS N/A Flash Point 241.5±21.2 °C

 Names

Name 5-Nitrobenzimidazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 475.7±18.0 °C at 760 mmHg
Melting Point 207-210 °C
Molecular Formula C7H5N3O2
Molecular Weight 163.133
Flash Point 241.5±21.2 °C
Exact Mass 163.038177
PSA 74.50000
LogP 1.64
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.741
Stability Stable. 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 Codes Xn:Harmful;
Risk Phrases R22;R40
Safety Phrases S26-S45-S36/37
RIDADR 2811
WGK Germany 3
RTECS DD9800000
HS Code 29339990

 Synthetic Route

~86%

5-Nitrobenzimidazole Structure

5-Nitrobenzimidazole

CAS#:94-52-0

Literature: Ke, Yazhen; Zhi, Xiaoyan; Yu, Xiang; Ding, Guodong; Yang, Chun; Xu, Hui Combinatorial Chemistry and High Throughput Screening, 2014 , vol. 17, # 1 p. 89 - 95

~86%

5-Nitrobenzimidazole Structure

5-Nitrobenzimidazole

CAS#:94-52-0

Literature: Roussel Uclaf Patent: US4151280 A1, 1979 ;

~92%

5-Nitrobenzimidazole Structure

5-Nitrobenzimidazole

CAS#:94-52-0

Literature: Karami, Bahador; Khodabakhshi, Saeed; Haghighijou, Zahra Chemical Papers, 2012 , vol. 66, # 7 p. 684 - 690

~88%

5-Nitrobenzimidazole Structure

5-Nitrobenzimidazole

CAS#:94-52-0

Literature: Karuvalam, Ranjith P.; Haridas, Karickal R.; Shetty, Suchetha N. Journal of the Chilean Chemical Society, 2012 , vol. 57, # 2 p. 1122 - 1125,4

~85%

5-Nitrobenzimidazole Structure

5-Nitrobenzimidazole

CAS#:94-52-0

Literature: Yu, Bo; Zhang, Hongye; Zhao, Yanfei; Chen, Sha; Xu, Jilei; Huang, Changliang; Liu, Zhimin Green Chemistry, 2013 , vol. 15, # 1 p. 95 - 99

~57%

5-Nitrobenzimidazole Structure

5-Nitrobenzimidazole

CAS#:94-52-0

Literature: Stanovnik, Branko; Bajt, OLiver; Balcic, Branko; Koren, Bozidar; Prhavc, Marija; et al. Heterocycles, 1984 , vol. 22, # 7 p. 1545 - 1554

~35%

5-Nitrobenzimidazole Structure

5-Nitrobenzimidazole

CAS#:94-52-0

Literature: Selvam, Kaliyamoorthy; Annadhasan, Mari; Velmurugan, Rengasamy; Swaminathan, Meenakshisundaram Bulletin of the Chemical Society of Japan, 2010 , vol. 83, # 7 p. 831 - 837

~10%

5-Nitrobenzimidazole Structure

5-Nitrobenzimidazole

CAS#:94-52-0

Literature: Bulletin of the Chemical Society of Japan, , vol. 83, # 7 p. 831 - 837

~%

5-Nitrobenzimidazole Structure

5-Nitrobenzimidazole

CAS#:94-52-0

Literature: Combinatorial Chemistry and High Throughput Screening, , vol. 17, # 1 p. 89 - 95

 Customs

HS Code 2933990090
Summary 2933990090. 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