Basic information
- CAS
39919-58-9- Standard SMILES
CC(C)(C)c1ccc(Br)cn1- InChIKey
HAJSOFXLKFWERP-UHFFFAOYSA-N- Molecular formula
- C9H12BrN
- Average molar mass
- 214.1 g/mol
- Monoisotopic mass
- 213.01531
Names & identifiers
- Preferred name
- 5-Bromo-2-tert-butylpyridine
- IUPAC
- 5-bromo-2-tert-butylpyridine
- English name
- 5-bromo-2-tert-butylpyridine
- Molecular formula
- C9H12BrN
- Molecular weight
- 214.1
Names & synonyms
5-bromo-2-tert-butylpyridine39919-58-9DTXSID50610315RefChem:301740DTXCID505610705-Bromo-2-(tert-butyl)pyridine5-BROMO-2-TERT-BUTYL-PYRIDINEC9H12BrNMFCD118478093-BROMO-6-(TERT-BUTYL)PYRIDINE5-Bromo-2-(tert-butyl)SCHEMBL681100
Show more names
5-BroMo-2-(1,1-diMethylethyl)pyridinePyridine, 5-bromo-2-(1,1-dimethylethyl)-
SCHEMBL29926723HAJSOFXLKFWERP-UHFFFAOYSA-NAKOS015841422MB10118AS-42333SY128727DB-069893CS-0119390
Database identifiers
- CAS
39919-58-9- PubChem CID
- 21041308
- DTXSID
DTXSID50610315
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Light yellow to yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers45 total
上海康恩博医药科技有限公司17510465506 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [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021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏弘和药物研发有限公司5108538618 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
Related reactions
707 records
Compound notes
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