CAS 156072-86-5 5-Bromo-3-methylpyridine-2-carbonitrile (HCID 20775007)

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Basic information

CAS: 156072-86-5
Standard SMILES: Cc1cc(Br)cnc1C#N
InChIKey: YPCLLVYLWXIIBW-UHFFFAOYSA-N
Molecular formula: C7H5BrN2
Average molar mass: 197.03 g/mol
Monoisotopic mass: 195.96361026

Names & identifiers

Preferred name: 5-Bromo-3-methylpyridine-2-carbonitrile
IUPAC: 5-bromo-3-methylpyridine-2-carbonitrile
English name: 5-bromo-3-methylpicolinonitrile
Molecular formula: C7H5BrN2
Molecular weight: 197.03

Names & synonyms

156072-86-55-Bromo-3-methylpyridine-2-carbonitrileDTXSID40609738RefChem:301819DTXCID80560495826-968-15-Bromo-3-methylpicolinonitrile5-Bromo-2-cyano-3-methylpyridine2-PYRIDINECARBONITRILE, 5-BROMO-3-METHYL-MFCD11975788SCHEMBL20761235-Bromo-3-methyl-picolinonitrile

Show more names

5-Bromo-3-methyl-2-pyridinitrile5-bromo-3-methyl-2-pyridinecarbonitrile2-Pyridinecarbonitrile,5-bromo-3-methyl-5- Bromo-2-Cyano-3-methyl picolinonitrile5-Bromo-2-cyano-3-methylpyridine, 5-Bromo-3-methylpicolinonitrile5-Bromo-3-methylpicolinonitrile/5-bromo-3-methylpyridine-2-carbonitrile

YPCLLVYLWXIIBW-UHFFFAOYSA-N5-bromo-3-methyl-2-cyanopyridineAKOS015911680AB65088CS-W003818FS-34365-Bromo-3-methyl-pyridine-2-carbonitrileSY031479

Database identifiers

CAS: 156072-86-5
PubChem CID: 20775007
DTXSID: DTXSID40609738
EC Number: 826-968-1
Nikkaji: J3.446.114G

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 160

Physicochemical properties

Boiling point: 283.6 · 283.6±35.0 °C(Predicted)
Density: 1.61 · 1.61±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: -2.38 · -2.38±0.20(Predicted)
Appearance: White to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 260 · P260-P271-P280
RIDADR: 2811 · 2811
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.