CAS 16032-35-2 Quinolin-8-ylmethanol (HCID 594412)

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Basic information

CAS: 16032-35-2
Standard SMILES: OCc1cccc2cccnc12
InChIKey: BGLZVNYGUGILJU-UHFFFAOYSA-N
Molecular formula: C10H9NO
Average molar mass: 159.18 g/mol
Monoisotopic mass: 159.06841391

Names & identifiers

Preferred name: Quinolin-8-ylmethanol
IUPAC: quinolin-8-ylmethanol
English name: 8-Quinolinemethanol
Molecular formula: C10H9NO
Molecular weight: 159.18

Names & synonyms

quinolin-8-ylmethanol16032-35-2DTXSID40344096RefChem:871974DTXCID00295171818-055-18-QuinolinemethanolQuinolin-8-yl-methanol(quinolin-8-yl)methanol8-Quinolinylmethanol8-hydroxymethylquinolineMFCD00769488

Show more names

8-quinolylmethanolquinolin-8-ylmethanol(SALTDATA: FREE)

Quinoline-8-methanol8-quinolylmethan-1-ol8-Quinolinylmethanol #8-(Hydroxymethyl)quinolineOprea1_332082SCHEMBL1154872SCHEMBL3969185SCHEMBL30003476

Database identifiers

CAS: 16032-35-2
PubChem CID: 594412
DTXSID: DTXSID40344096
EC Number: 818-055-1
Nikkaji: J128.144E

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 75 · 75-76℃
Boiling point: 334.8 · 334.8±17.0 °C(Predicted)
Density: 1.218 · 1.218
pka: 13.8 · 13.80±0.10(Predicted)
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H318
Precautionary statements: 280 · P280-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2933499090 · 2933499090

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, 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.