6-Hydroxymethylquinoline

HCID 1514385CAS 100516-88-9

Substructure search Find similar structures

Basic information

Standard SMILES: OCc1ccc2ncccc2c1
InChIKey: YQEJIIUSNDZIGO-UHFFFAOYSA-N
Molecular formula: C10H9NO
Average molar mass: 159.18 g/mol
Monoisotopic mass: 159.06841391

Overview

structure in first source

Names & identifiers

Preferred name: 6-Hydroxymethylquinoline
IUPAC: quinolin-6-ylmethanol
English name: 6-Quinolinylmethanol
Molecular formula: C10H9NO
Molecular weight: 159.18

Names & synonyms

6-HYDROXYMETHYLQUINOLINE6-OH-Me, quinolineRefChem:8719696-quinolinylmethanolquinolin-6-ylmethanol100516-88-96-quinolinemethanolMFCD03789621(quinolin-6-yl)methanol6-quinolylmethanol6-(hydroxymethyl)quinolinequinolin-6-yl methanol

Show more names

CC 04509ZINC014362224-cinnolinemethanolRARECHEM AK ML 0560Quinoline-6-methanolSDCCGMLS-0065932.P001

quinolin-6-yl-methanolA1EFA6-Hydroxymethyl-quinolineSCHEMBL187244orb3029845SCHEMBL2107923DTXSID90363873YQEJIIUSNDZIGO-UHFFFAOYSA-N

Database identifiers

CAS: 100516-88-9
PubChem CID: 1514385
DTXSID: DTXSID90363873
EC Number: 600-106-2
Nikkaji: J550.328K

Properties

Computed structural properties

XLogP: 1.3
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: 79 · 79-80 ºC
Boiling point: 334.8 · 334.8±17.0 °C(Predicted)
Density: 1.218 · 1.218±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 14.02 · 14.02±0.10(Predicted)
Appearance: Light brown to yellow Solid
CAS DataBase Reference: 100516 · 100516-88-9
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H412-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 6 · 6-24/25-26-36/37/39
HazardClass: IRRITANT
HS Code: 29334900 · 29334900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P271, P273, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29334900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 6-24/25-26-36/37/39
hazard_class: IRRITANT
Hazard statements: H335-H315-H412-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P501