CAS 14047-53-1 3-Hydroxypyridine-2-methanol (HCID 84169)

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Basic information

CAS: 14047-53-1
Standard SMILES: OCc1ncccc1O
InChIKey: ZJRBRKUGRKKZOO-UHFFFAOYSA-N
Molecular formula: C6H7NO2
Average molar mass: 125.13 g/mol
Monoisotopic mass: 125.04767846

Names & identifiers

Preferred name: 3-Hydroxypyridine-2-methanol
IUPAC: 2-(hydroxymethyl)pyridin-3-ol
English name: 2-(Hydroxymethyl)pyridin-3-ol
Molecular formula: C6H7NO2
Molecular weight: 125.13

Names & synonyms

2-Pyridinemethanol, 3-hydroxy-3-Hydroxypyridine-2-methanolEINECS 237-883-9DTXSID00161408NSC 18473RefChem:502600DTXCID9083899237-883-92-(hydroxymethyl)pyridin-3-ol14047-53-13-HYDROXY-2-PYRIDINEMETHANOL2-(Hydroxymethyl)-3-pyridinol

Show more names

Oxetane,7-[(phenylsulfonyl)methylene]-2-(HYDROXYMETHYL)PYRIDIN-3-OL ISO 9001：2015 REACH

MFCD00128114CC5XC2T8UZMLS000737836NSC-18473NSC2411733-Hydroxy-2-pyridylmethanol2-(Hydroxymethyl)pyridine-3-olNSC18473

Database identifiers

CAS: 14047-53-1、14173-30-9
PubChem CID: 84169
DTXSID: DTXSID00161408
ChEMBL: CHEMBL1367321
UNII: CC5XC2T8UZ
EC Number: 237-883-9
Nikkaji: J215.903A

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 87.1

Experimental & physicochemical properties

Collision Cross Section122.1 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID90161811]

Physicochemical properties

Melting point: 132 °C · 132 °C
Boiling point: 393.2 · 393.2±27.0 °C(Predicted)
Density: 1.318 · 1.318±0.06 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
pka: 8.1 · 8.10±0.10(Predicted)
Appearance: White to yellow Solid
FDA UNII: 5 XC2T8UZ · CC5XC2T8UZ
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501