CAS 29745-44-6 Pyridine-2-carbonyl chloride (HCID 135034)

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Basic information

CAS: 29745-44-6
Standard SMILES: O=C(Cl)c1ccccn1
InChIKey: PSAYJRPASWETSH-UHFFFAOYSA-N
Molecular formula: C6H4ClNO
Average molar mass: 141.55 g/mol

Names & identifiers

Preferred name: Pyridine-2-carbonyl chloride
IUPAC: pyridine-2-carbonyl chloride
English name: 2-Pyridinecarboxylicacid chloride
Molecular formula: C6H4ClNO
Molecular weight: 141.56

Names & synonyms

pyridine-2-carbonyl chlorideRefChem:870731859-484-429745-44-62-pyridinecarbonyl chloridepicolinoyl chloride2-PYRIDINECARBOXYLIC ACID CHLORIDEpicolinic acid chloride2-PYRIDINECARBOXYLICACIDCHLORIDE2-Pyridoyl chlorideSFB9GY7SBF2-pyridylcarbonyl chloride

Show more names

nikethamide crude impurity 052-Pyridinecarboxylicacid chloridepyridine-2-carboxylicacid,chloride2-Pyridinecarbonyl chloride (9CI, ACI)2-PYRIDINECARBOXYLICACID CHLORIDE ISO 9001：2015 REACH2-pyridi2-pyridinecarboxylicacid chloridenecarboxylicacid chloride

SCHEMBL14682-pyridine carbonyl chlorideSCHEMBL29407094PSAYJRPASWETSH-UHFFFAOYSA-Npyridine-2-carboxylic acid chloridpyridine-2-carboxylic acid chlorideMFCD08235236AKOS022136734

Database identifiers

CAS: 29745-44-6
PubChem CID: 135034
UNII: SFB9GY7SBF
EC Number: 859-484-4
Nikkaji: J257.513B

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 116

Physicochemical properties

Boiling point: 204.1 · 204.1±13.0 °C(Predicted)
Density: 1.297 · 1.297±0.06 g/cm3(Predicted)
pka: 0.49 · 0.49±0.10(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314-H335
Precautionary statements: 260 · P260-P280-P301+P312
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.