CAS 133046-47-6 [2-(Trifluoromethyl)-1,3-thiazol-4-yl]methanol (HCID 20079604)

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Basic information

CAS: 133046-47-6
Standard SMILES: OCc1csc(C(F)(F)F)n1
InChIKey: NGTOSARTLLCFTQ-UHFFFAOYSA-N
Molecular formula: C5H4F3NOS
Average molar mass: 183.15 g/mol
Monoisotopic mass: 182.99656941

Names & identifiers

Preferred name: [2-(Trifluoromethyl)-1,3-thiazol-4-yl]methanol
IUPAC: [2-(trifluoromethyl)-1,3-thiazol-4-yl]methanol
English name: [2-(Trifluoromethyl)-1,3-thiazol-4-yl]methanol
Molecular formula: C5H4F3NOS
Molecular weight: 183.15

Names & synonyms

[2-(Trifluoromethyl)-1,3-thiazol-4-yl]methanol2-(Trifluoromethyl)-4-thiazolemethanolDTXSID40602209(2-(trifluoromethyl)-1,3-thiazol-4-yl)methanolRefChem:550968DTXCID30552966819-489-4(2-(Trifluoromethyl)thiazol-4-yl)methanol133046-47-64-Thiazolemethanol, 2-(trifluoromethyl)-4-(Hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazoleMFCD12963701

Show more names

[2-(trifluoromethyl)thiazol-4-yl]methanolSCHEMBL1999685IFA046472-(Trifluoromethyl)4-thiazolemethanolAKOS0160071122-trifluoromethyl-4-hydroxymethylthiazoleAS-35822DB-344528

Database identifiers

CAS: 133046-47-6
PubChem CID: 20079604
DTXSID: DTXSID40602209
EC Number: 819-489-4

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 140

Physicochemical properties

storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319-H335
Precautionary statements: 305 · P305+P351+P338
HS Code: 2934100090 · 2934100090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.