Basic information
- CAS
823221-97-2- Standard SMILES
Clc1cnc(I)c(Br)c1- InChIKey
INARBABVYJQJDC-UHFFFAOYSA-N- Molecular formula
- C5H2BrClIN
- Average molar mass
- 318.34 g/mol
- Monoisotopic mass
- 316.81039
Names & identifiers
- Preferred name
- 3-Bromo-5-chloro-2-iodopyridine
- IUPAC
- 3-bromo-5-chloro-2-iodopyridine
- English name
- 3-bromo-5-chloro-2-iodopyridine
- Molecular formula
- C5H2BrClIN
- Molecular weight
- 318.34
Names & synonyms
3-BROMO-5-CHLORO-2-IODOPYRIDINE823221-97-2MFCD118473543-bromo-5-chloro-2-iodo-pyridinePyridine, 3-bromo-5-chloro-2-iodo-SCHEMBL28128555SCHEMBL311647233-Bomo-5-chloro-2-iodopyridineDTXSID80697356AKOS024263018AB64692DS-10064
Show more names
113612
SY038028DB-165587CS-0041022F31146F5115113-BROMO-5-CHLORO-2-IODOPYRIDINE, 823221-97-2, CTK3E0727, Pyridine, 3-bromo-5-chloro-2-iodo-, AB64692
Database identifiers
- CAS
823221-97-2- PubChem CID
- 53417469
- DTXSID
DTXSID80697356- Nikkaji
- J2.126.244G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 58 · 58-60 °C(Solv: methanol (67-56-1))
- Boiling point
- 280 · 280.0±35.0 °C(Predicted)
- Density
- 2.395 · 2.395±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- -2.8 · -2.80±0.20(Predicted)
- Appearance
- White to light yellow Solid
- InChI
- InChI=1S/C5H2BrClIN/c6-4-1-3(7)2-9-5(4)8/h1-2H
- InChIKey
- INARBABVYJQJDC-UHFFFAOYSA-N
- SMILES
- C1(I)=NC=C(Cl)C=C1Br
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers38 total
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]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [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]
韶远科技（上海）有限公司4000665055 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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