(1,3-Thiazol-4-yl)methanol

HCID 2763215CAS 7036-04-6

Substructure search Find similar structures

Basic information

Standard SMILES: OCc1cscn1
InChIKey: WQVOUANKVCYEIQ-UHFFFAOYSA-N
Molecular formula: C4H5NOS
Average molar mass: 115.16 g/mol
Monoisotopic mass: 115.00918496

Names & identifiers

Preferred name: (1,3-Thiazol-4-yl)methanol
IUPAC: 1,3-thiazol-4-ylmethanol
English name: 4-Hydroxymethylthiazole
Molecular formula: C4H5NOS
Molecular weight: 115.15

Names & synonyms

(1,3-thiazol-4-yl)methanolRefChem:391418672-899-37036-04-64-(Hydroxymethyl)thiazole4-Hydroxymethylthiazolethiazole-4-methanolthiazol-4-ylmethanol1,3-thiazol-4-ylmethanolMFCD041157284-(hydroxymethyl)-1,3-thiazole4-THIAZOLEMETHANOL

Show more names

4-(Hydroxymethyl)-1,3-thiazole95%4-(Hydroxymethyl)-1,3-thiazole 95%4-HydroxyMethylthiazole CAS7036-04-6

(Thiazol-4-yl)methanol4-Hydroxymethylthiaz(4-thiazolyl)methanolthiazol-4-yl-methanolSCHEMBL243565SCHEMBL243566SCHEMBL9709051,3-thiazol-4-ylmethan-1-ol

Database identifiers

CAS: 7036-04-6
PubChem CID: 2763215
DTXSID: DTXSID80376816
EC Number: 672-899-3
Nikkaji: J2.226.429J

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 59

Physicochemical properties

Melting point: 112 · 112-114 °C(Solv: ethyl ether (60-29-7); ethanol (64-17-5))
Boiling point: 85 · 85-90/0.5mm
Density: 1.339 · 1.339±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: liquid
pka: 13.21 · 13.21±0.10(Predicted)
color: colourless
InChI: InChI=1S/C4H5NOS/c6-1-4-2-7-3-5-4/h2-3,6H,1H2
InChIKey: WQVOUANKVCYEIQ-UHFFFAOYSA-N
SMILES: S1C=C(CO)N=C1
CAS DataBase Reference: 7036 · 7036-04-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 37 · 37/38-41
Safety Statements: 26 · 26-39
Hazard Note: Irritant
HS Code: 2934100090 · 2934100090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.