4-(Hydroxymethyl)quinoline
Basic information
- CAS
6281-32-9- Standard SMILES
OCc1ccnc2ccccc12- InChIKey
KXYNLLGPBDUAHW-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Overview
4-Hydroxymethylquinoline is a member of quinolines and an aromatic alcohol.
Names & identifiers
- Preferred name
- 4-(Hydroxymethyl)quinoline
- IUPAC
- quinolin-4-ylmethanol
- English name
- 4-quinolylmethanol
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
4-(hydroxymethyl)quinolineRefChem:526701quinolin-4-ylmethanol6281-32-94-Quinolylmethanol4-Quinolinemethanol4-Hydroxymethylquinoline(quinolin-4-yl)methanolMFCD01006059RL7X3EV8AANSC-65074-quinolinylmethanol
Show more names
NSC 6507AV 781644-quinolylmethanol - [Q87121]
CCRIS 7771EINECS 228-489-8NSC65074-quinolylmethan-1-olUNII-RL7X3EV8AASCHEMBL334360SCHEMBL3972788CHEMBL6152997
Database identifiers
- CAS
6281-32-9- PubChem CID
- 80479
- DTXSID
DTXSID10211908- ChEMBL
CHEMBL6152997- ChEBI
CHEBI:204222- UNII
- RL7X3EV8AA
- EC Number
- 228-489-8
- Nikkaji
- J211.521B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 96 · 96-97 °C
- Boiling point
- 145 °C · 145 °C(Press: 0.2 Torr)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.45 · 13.45±0.10(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 7 X3EV8AA · RL7X3EV8AA
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
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
- 2933499090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
27 records
Compound notes
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