Basic information
- CAS
20577-26-8- Standard SMILES
N#Cc1cccnc1Br- InChIKey
QIPXEPRGYVAQFI-UHFFFAOYSA-N- Molecular formula
- C6H3BrN2
- Average molar mass
- 183.01 g/mol
- Monoisotopic mass
- 181.94796
Names & identifiers
- Preferred name
- 2-Bromopyridine-3-carbonitrile
- IUPAC
- 2-bromopyridine-3-carbonitrile
- English name
- 2-Bromo-3-cyanopyridine
- Molecular formula
- C6H3BrN2
- Molecular weight
- 183.01
Names & synonyms
2-bromopyridine-3-carbonitrileRefChem:467309854-061-02-Bromonicotinonitrile20577-26-82-BROMO-3-CYANOPYRIDINE2-Bromo-nicotinonitrile3-Pyridinecarbonitrile, 2-bromo-MFCD00234140SCHEMBL5712402-BROMO-3-PYRIDINECARBONITRILEAKOS000320220
Show more names
IFLAB-BB F1957-00022-BroMo-nicotionitrile2-broMo-3-cyanopyridin2-Bromonicotinonitrile 98%2-Bromo-3-cyanopyridine,98%3-Pyridinecarbonitrile,2-broMo-
CS-W004810AC-25800DS-10491SY023829EN300-66595F1957-0002FT-0649121A814714
Database identifiers
- CAS
20577-26-8- PubChem CID
- 817153
- DTXSID
DTXSID90355753- EC Number
- 854-061-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 105 °C · 105 °C
- Boiling point
- 296.9 · 296.9±25.0 °C(Predicted)
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- Solid
- pka
- -2.66 · -2.66±0.10(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- HazardClass
- 6.1 · 6.1
- 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.
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)
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers91 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
11 records
Compound notes
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