CAS 61291-91-6 (4-Methyl-2-phenyl-thiazol-5-yl)-methanol (HCID 736541)

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Basic information

CAS: 61291-91-6
Standard SMILES: Cc1nc(-c2ccccc2)sc1CO
InChIKey: JSIPFWSPCWZJIU-UHFFFAOYSA-N
Molecular formula: C11H11NOS
Average molar mass: 205.28 g/mol
Monoisotopic mass: 205.05613515

Names & identifiers

Preferred name: (4-Methyl-2-phenyl-thiazol-5-yl)-methanol
IUPAC: (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanol
English name: (4-Methyl-2-phenyl-1,3-thiazol-5-yl)methanol
Molecular formula: C11H11NOS
Molecular weight: 205.28

Names & synonyms

(4-Methyl-2-phenyl-thiazol-5-yl)-methanolRefChem:403002692-374-261291-91-6(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanol(4-methyl-2-phenylthiazol-5-yl)methanolMFCD019287824-Methyl-2-phenylthiazole-5-methanol5-(Hydroxymethyl)-4-methyl-2-phenylthiazole(4-methyl-2-phenyl-1,3-thiazol-5-yl)methan-1-ol(4-Methyl-2-phenyl-thiazol-5-yl)methanolSCHEMBL3077683

Show more names

BUTTPARK 98\12-895-Thiazolemethanol, 4-methyl-2-phenyl-2-Phenyl-4-methyl-5-(hydroxymethyl)thiazole

DTXSID80353066JSIPFWSPCWZJIU-UHFFFAOYSA-NLCA29191SBB0180704-methyl-2-phenyl-5-thiazolemethanolAKOS000302774AS-5642CCG-311504

Database identifiers

CAS: 61291-91-6
PubChem CID: 736541
DTXSID: DTXSID80353066
EC Number: 692-374-2

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 182

Physicochemical properties

Melting point: 99 °C · 99 °C
Boiling point: 386.3 · 386.3±34.0 °C(Predicted)
Density: 1.225 · 1.225±0.06 g/cm3(Predicted)
pka: 13.57 · 13.57±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2934208090 · 2934208090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2934208090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501