Basic information
- CAS
24134-09-6- Standard SMILES
Cc1ncc(Br)n1C- InChIKey
WIRCWIXZNDCIST-UHFFFAOYSA-N- Molecular formula
- C5H7BrN2
- Average molar mass
- 175.03 g/mol
- Monoisotopic mass
- 173.97926032
Names & identifiers
- Preferred name
- 5-bromo-1,2-dimethyl-1H-imidazole
- IUPAC
- 5-bromo-1,2-dimethylimidazole
- English name
- 5-Bromo-1,2-dimethyl-1H-imidazole
- Molecular formula
- C5H7BrN2
- Molecular weight
- 175.03
Names & synonyms
5-bromo-1,2-dimethyl-1H-imidazole24134-09-6DTXSID40428401RefChem:301381DTXCID70379235634-995-35-bromo-1,2-dimethylimidazoleMFCD066599051H-Imidazole, 5-bromo-1,2-dimethyl-SCHEMBL303908ZAA13409AKOS006343260
Show more names
4-BROMO-1,5-DIMETHYLIMIDAZOLE1H-IMidazole,5-broMo-1,2-diMethyl-5-Bromo-1,2-dimethyl-1H-imidazole 96%5-Bromo-1,2-dimethyl-1H-imidazole ,97%
AB26592PS-3527SY020573BCP267291,2-Dimethyl-5-bromo-1H-imidazoleAM200902655-bromo-1,2-dimethyl-imidazoleSBB088992
Database identifiers
- CAS
24134-09-6- PubChem CID
- 7204879
- DTXSID
DTXSID40428401- EC Number
- 634-995-3
- Nikkaji
- J304.598F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.5
Physicochemical properties
- Melting point
- 91 °C · 91 °C
- Boiling point
- 266.6 · 266.6±13.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- solid
- pka
- 5.93 · 5.93±0.25(Predicted)
- color
- beige
- InChI
- InChI=1S/C5H7BrN2/c1-4-7-3-5(6)8(4)2/h3H,1-2H3
- InChIKey
- WIRCWIXZNDCIST-UHFFFAOYSA-N
- SMILES
- C1(C)N(C)C(Br)=CN=1
- CAS DataBase Reference
- 24134 · 24134-09-6
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- C,Xn
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 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- hs_code
- 2933299090
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C,Xn
- hazard_note
- Corrosive/Keep Cold
- Hazard statements
- H226-H314
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers60 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
17 records
Compound notes
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