(4-Phenyl-1,3-thiazol-2-yl)methanol

HCID 698895

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 65384-99-8
Standard SMILES: OCc1nc(-c2ccccc2)cs1
InChIKey: TYUWZKSJURGPRJ-UHFFFAOYSA-N
Molecular formula: C10H9NOS
Average molar mass: 191.25 g/mol
Monoisotopic mass: 191.04048491

Names & identifiers

Preferred name: (4-Phenyl-1,3-thiazol-2-yl)methanol
IUPAC: (4-phenyl-1,3-thiazol-2-yl)methanol
English name: (4-phenyl-1,3-thiazol-2-yl)methanol
Molecular formula: C10H9NOS
Molecular weight: 191.25

Names & synonyms

(4-phenyl-1,3-thiazol-2-yl)methanol65384-99-8DTXSID20351384RefChem:209005DTXCID00302450823-999-2(4-phenylthiazol-2-yl)methanol4-Phenylthiazole-2-methanolMFCD005518092-Thiazolemethanol, 4-phenyl-2-Hydroxymethyl-4-phenylthiazoleMaybridge3_005031

Show more names

(4-phenyl-2-thiazolyl)methanol4-Phenyl-2-(hydroxymethyl)thiazoleJR-14110, (4-Phenylthiazol-2-yl)methanol, 97%(4-phenyl-1,3-thiazol-2-yl)methanol(SALTDATA: 0.95HCl 0.25H2O)

Cambridge id 5156927CBDivE_015895SCHEMBL1745076TYUWZKSJURGPRJ-UHFFFAOYSA-NHMS1445E152-(Hydroxymethyl)-4-phenylthiazoleALBB-015261AC6548

Database identifiers

CAS: 65384-99-8
PubChem CID: 698895
DTXSID: DTXSID20351384
EC Number: 823-999-2

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 159

Physicochemical properties

Boiling point: 350.6 · 350.6±25.0 °C(Predicted)
Density: 1.264 · 1.264±0.06 g/cm3(Predicted)
pka: 13.06 · 13.06±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HazardClass: IRRITANT

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)

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

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H335-H319-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362