CAS 30413-55-9 3-Ethynyl-2-methylpyridine (HCID 14526587)

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Basic information

CAS: 30413-55-9
Standard SMILES: C#Cc1cccnc1C
InChIKey: QWIFZJLXMLPGCA-UHFFFAOYSA-N
Molecular formula: C8H7N
Average molar mass: 117.15 g/mol
Monoisotopic mass: 117.05784922

Names & identifiers

Preferred name: 3-Ethynyl-2-methylpyridine
IUPAC: 3-ethynyl-2-methylpyridine
English name: 3-ethynyl-2-methylpyridine
Molecular formula: C8H7N
Molecular weight: 117.15

Names & synonyms

3-ethynyl-2-methylpyridine30413-55-9DTXSID50561272RefChem:93876DTXCID80512050831-066-63-ETHYNYL-2-METHYL-PYRIDINE2-Methyl-3-ethynyl pyridineSCHEMBL4036995SCHEMBL29993600QWIFZJLXMLPGCA-UHFFFAOYSA-NAKOS040819346

Show more names

Pyridine, 3-ethynyl-2-methyl-

AB66573AT12964EN300-1702778

Database identifiers

CAS: 30413-55-9
PubChem CID: 14526587
DTXSID: DTXSID50561272
EC Number: 831-066-6

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 131

Physicochemical properties

Boiling point: 186.3 · 186.3±28.0 °C(Predicted)
Density: 1 · 1.00±0.1 g/cm3(Predicted)
pka: 4.43 · 4.43±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H312-H302-H332-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501

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)

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

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H312-H302-H332-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501