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Basic information
- CAS
64591-03-3- Standard SMILES
Brc1cnc(Br)[nH]1- InChIKey
KJBTZMYWBSAZAQ-UHFFFAOYSA-N- Molecular formula
- C3H2Br2N2
- Average molar mass
- 225.87 g/mol
- Monoisotopic mass
- 223.85847
Names & identifiers
- Preferred name
- 2,4-Dibromo-1H-imidazole
- IUPAC
- 2,5-dibromo-1H-imidazole
- English name
- 2,4-DIBROMOIMIDAZOLE
- Molecular formula
- C3H2Br2N2
- Molecular weight
- 225.87
Names & synonyms
2,4-dibromo-1H-imidazoleRefChem:443201688-438-464591-03-32,5-dibromo-1H-imidazole2,4-Dibromoimidazole1H-Imidazole, 2,4-dibromo-MFCD02179517MFCD08741407SCHEMBL67956DTXSID70428393AKOS015835033
Show more names
1H-Imidazole, 2,5-dibromo-2,5-Dibromo-1H-imidazole - [AC78557]
AKOS015914191AKOS025394790AB11297AMY240952,4-dibromoimidazolSCHEMBL2074108PS-11FD155723
Database identifiers
- CAS
64591-03-3- PubChem CID
- 7204871
- DTXSID
DTXSID70428393- EC Number
- 688-438-4
- Nikkaji
- J1.623.612H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 68
Physicochemical properties
- Melting point
- 190 · 190-192
- Boiling point
- 339.2 · 339.2±34.0 °C(Predicted)
- Density
- 2.419 · 2.419±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- solid
- pka
- 9.04 · 9.04±0.10(Predicted)
- color
- white
- InChI
- InChI=1S/C3H2Br2N2/c4-2-1-6-3(5)7-2/h1H,(H,6,7)
- InChIKey
- KJBTZMYWBSAZAQ-UHFFFAOYSA-N
- SMILES
- C1(Br)NC(Br)=CN=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- Xi
- Hazard Note
- Irritant/Keep Cold
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]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Hazard statements
- H302-H315-H319-H332-H335
Chemistry & industry
Suppliers57 total
宁波振岳医药科技有限公司19817745290 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Related reactions
2 records
Compound notes
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