Basic information
- CAS
933-87-9- Standard SMILES
Cn1cnc([N+](=O)[O-])c1Br- InChIKey
PQZGBZGIQGQAFD-UHFFFAOYSA-N- Molecular formula
- C4H4BrN3O2
- Average molar mass
- 206 g/mol
- Monoisotopic mass
- 204.94869
Names & identifiers
- Preferred name
- 1-Methyl-5-bromo-4-nitroimidazole
- IUPAC
- 5-bromo-1-methyl-4-nitroimidazole
- English name
- 1-methyl-5-bromo-4-nitroimidazole
- Molecular formula
- C4H4BrN3O2
- Molecular weight
- 206
Names & synonyms
5-BROMO-1-METHYL-4-NITRO-1H-IMIDAZOLE933-87-91-Methyl-5-bromo-4-nitroimidazoleMtr 1-809MQV6BY1511H-Imidazole, 5-bromo-1-methyl-4-nitro-NSC-329116DTXSID40239377RefChem:438302DTXCID60161868868-536-55-bromo-1-methyl-4-nitroimidazole
Show more names
MFCD121894045-bromo-4-nitro-N-methylimidazoleNSC329116NSC 3291161-methyl-5-bromo-4-nitro-1H-imidazoleUNII-9MQV6BY151PQZGBZGIQGQAFD-UHFFFAOYSA-NAAA93387
Database identifiers
- CAS
933-87-9- PubChem CID
- 13620
- DTXSID
DTXSID40239377- UNII
- 9MQV6BY151
- EC Number
- 868-536-5
- Nikkaji
- J449.900J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
LogP0.36
Physicochemical properties
- Melting point
- 180 · 180-181 °C
- Boiling point
- 333.9 · 333.9±22.0 °C(Predicted)
- Density
- 2.04 · 2.04±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.43 · -1.43±0.61(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 9 MQV6BY151 · 9MQV6BY151
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses5-Bromo-1-methyl-4-nitro-1H-imidazole, is a buliding blcok used in the synthesis of various compounds such as, 5,5''-Thiobis[1-methyl-4-nitro-1H-Imidazole (T350205).
Suppliers15 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
安庆东禾生物技术有限公司15056029383 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
武汉英诺川生物科技有限公司18502785028 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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