1H-Benzimidazole,1-methyl-6-nitro-

Modify Date: 2024-01-29 08:14:31

1H-Benzimidazole,1-methyl-6-nitro- Structure
1H-Benzimidazole,1-methyl-6-nitro- structure
 Common Name 1H-Benzimidazole,1-methyl-6-nitro-
CAS Number 5381-79-3 Molecular Weight 177.16000
Density 1.42g/cm3 Boiling Point 358.6ºC at 760mmHg
Molecular Formula C8H7N3O2 Melting Point N/A
MSDS N/A Flash Point 170.7ºC

 Names

Name 1-methyl-6-nitrobenzimidazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.42g/cm3
Boiling Point 358.6ºC at 760mmHg
Molecular Formula C8H7N3O2
Molecular Weight 177.16000
Flash Point 170.7ºC
Exact Mass 177.05400
PSA 63.64000
LogP 2.00470
Index of Refraction 1.676

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DD9469000
CHEMICAL NAME :
1H-Benzimidazole, 1-methyl-6-nitro- (9CI)
CAS REGISTRY NUMBER :
5381-79-3
LAST UPDATED :
199706
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H7-N3-O2
MOLECULAR WEIGHT :
177.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
50 nmol/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 173,169,1986

 Safety Information

HS Code 2933990090

 Synthetic Route

methyl iodide structure

methyl iodide

CAS#:74-88-4

~%

1H-Benzimidazole,1-methyl-6-nitro- Structure

1H-Benzimidazol...

CAS#:5381-79-3

1H-Benzimidazole,1-methyl-5-nitro- structure

1H-Benzimidazol...

CAS#:5381-78-2

Literature: F2G LTD Patent: WO2006/123145 A1, 2006 ; Location in patent: Page/Page column 53 ;
5-Nitrobenzimidazole structure

5-Nitrobenzimidazole

CAS#:94-52-0

methyl iodide structure

methyl iodide

CAS#:74-88-4

~%

1H-Benzimidazole,1-methyl-6-nitro- Structure

1H-Benzimidazol...

CAS#:5381-79-3

1H-Benzimidazole,1-methyl-5-nitro- structure

1H-Benzimidazol...

CAS#:5381-78-2

Literature: Lee, Jeewoo; Tran, Phuong-Thao; Hoang, Van-Hai; Thorat, Shivaji A.; Kim, Sung Eun; Ann, Jihyae; Chang, Yu Jin; Nam, Dong Woo; Song, Hyundong; Mook-Jung, Inhee; Lee, Jiyoun Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 13 p. 3821 - 3830
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

1,2-Diamino-4-nitrobenzene structure

1,2-Diamino-4-n...

CAS#:99-56-9

~40%

1H-Benzimidazole,1-methyl-6-nitro- Structure

1H-Benzimidazol...

CAS#:5381-79-3

Literature: Lopez-Alvarado, Pilar; Avendano, Carmen; Menendez, J. Carlos Heterocycles, 1991 , vol. 32, # 5 p. 1003 - 1012
Dimethyl oxalate structure

Dimethyl oxalate

CAS#:553-90-2

5-Nitrobenzimidazole structure

5-Nitrobenzimidazole

CAS#:94-52-0

~40%

1H-Benzimidazole,1-methyl-6-nitro- Structure

1H-Benzimidazol...

CAS#:5381-79-3

Literature: Bergman, Jan; Sand, Peter Tetrahedron Letters, 1984 , vol. 25, # 18 p. 1957 - 1960
Dimethyl oxalate structure

Dimethyl oxalate

CAS#:553-90-2

5-Nitrobenzimidazole structure

5-Nitrobenzimidazole

CAS#:94-52-0

~38%

1H-Benzimidazole,1-methyl-6-nitro- Structure

1H-Benzimidazol...

CAS#:5381-79-3

1H-Benzimidazole,1-methyl-5-nitro- structure

1H-Benzimidazol...

CAS#:5381-78-2

Literature: Bergman, Jan; Norrby, Per-Ola; Sand, Peter Tetrahedron, 1990 , vol. 46, # 17 p. 6113 - 6124
α-chloro-β-hydroxy-isovaleric acid ethyl ester structure

α-chloro-β-hydr...

CAS#:408509-08-0

~%

1H-Benzimidazole,1-methyl-6-nitro- Structure

1H-Benzimidazol...

CAS#:5381-79-3

Literature: Leandri et al. Gazzetta Chimica Italiana, 1955 , vol. 85, p. 769,788
toluene-4-sulfonic acid-(2-chloro-N-methyl-5-nitro-anilide) structure

toluene-4-sulfo...

CAS#:857005-56-2

~%

1H-Benzimidazole,1-methyl-6-nitro- Structure

1H-Benzimidazol...

CAS#:5381-79-3

Literature: Leandri et al. Gazzetta Chimica Italiana, 1955 , vol. 85, p. 769,788
1-Methylbenzimidazole structure

1-Methylbenzimi...

CAS#:1632-83-3

~%

1H-Benzimidazole,1-methyl-6-nitro- Structure

1H-Benzimidazol...

CAS#:5381-79-3

1H-Benzimidazole,1-methyl-5-nitro- structure

1H-Benzimidazol...

CAS#:5381-78-2

Literature: Viktor, Milata; Dusan, Ilavsky Bulletin des Societes Chimiques Belges, 1996 , vol. 105, # 4 p. 213 - 214
Formic Acid structure

Formic Acid

CAS#:64-18-6

N-4-Methyl-2-nitro-1,4-benzenediamine structure

N-4-Methyl-2-ni...

CAS#:95576-84-4

~%

1H-Benzimidazole,1-methyl-6-nitro- Structure

1H-Benzimidazol...

CAS#:5381-79-3

Literature: Leandri et al. Gazzetta Chimica Italiana, 1955 , vol. 85, p. 769,788

 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

1-methyl-6-nitro-1H-benzoimidazole
1H-Benzimidazole,1-methyl-6-nitro
1-Methyl-6-nitro-1H-benzimidazol
6-nitro-1-methylbenzimidazole
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