4-Bromo-2-cyanopyridine (HCID 693283)

Names & identifiers

Preferred name: 4-Bromo-2-cyanopyridine
IUPAC: 4-bromopyridine-2-carbonitrile
English name: 4-Bromo-pyridine-2-carbonitrile
Molecular formula: C6H3BrN2
Molecular weight: 183.01

Names & synonyms

4-Bromo-2-cyanopyridine4-BROMO-2-PYRIDINECARBONITRILERefChem:519631688-035-34-bromopyridine-2-carbonitrile62150-45-24-bromopicolinonitrile4-BROMO-PYRIDINE-2-CARBONITRILEMFCD040658052-Pyridinecarbonitrile, 4-bromo-SCHEMBL504885DTXSID40351205

Show more names

AURORA 23233OTAVA-BB BB71109524952-Cyano-4-bromopyridine4-Bromo-2-cyanopyridine,97%4-Bromopyridine-2-carbonitrile 98%

AC-9582PS-3946EN300-102445BCP27215AM200613824-Bromo-2-cyano-pyridineCHEMBL4563874SCHEMBL29850381

Database identifiers

CAS: 62150-45-2
PubChem CID: 693283
DTXSID: DTXSID40351205
ChEMBL: CHEMBL4563874
EC Number: 688-035-3

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 137

Physicochemical properties

Melting point: 82 · 82-84°C
Boiling point: 265.3 · 265.3±20.0 °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
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Solid
pka: -2.73 · -2.73±0.10(Predicted)
color: Off-White to Light Beige
InChI: InChI=1S/C6H3BrN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
InChIKey: CZXDCTUSFIKLIJ-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=CC(Br)=C1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 6 · GHS06
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H331-H335
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
RIDADR: 3439 · 3439
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (22.2%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (11.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (77.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (77.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (11.1%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (77.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 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. 3 (22.2%)；Acute Tox. 4 (77.8%)；Acute Tox. 3 (11.1%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (77.8%)；Eye Irrit. 2A (77.8%)；Acute Tox. 3 (11.1%)；Acute Tox. 4 (66.7%)；STOT SE 3 (77.8%)