(4-Methyl-2-phenyl-thiazol-5-yl)-methanol

HCID 736541CAS 61291-91-6

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Grundinformationen

Standard-SMILES: Cc1nc(-c2ccccc2)sc1CO
InChIKey: JSIPFWSPCWZJIU-UHFFFAOYSA-N
Summenformel: C11H11NOS
Durchschnittliche Molmasse: 205,28 g/mol
Monoisotopische Masse: 205,05613515

Namen und Bezeichner

Bevorzugter Name: (4-Methyl-2-phenyl-thiazol-5-yl)-methanol
IUPAC: (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanol
Englischer Name: (4-Methyl-2-phenyl-1,3-thiazol-5-yl)methanol
Summenformel: C11H11NOS
Molmasse: 205.28

Namen und Synonyme

(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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 61,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 182

Physikochemische Eigenschaften

Schmelzpunkt: 99 °C · 99 °C
Siedepunkt: 386.3 · 386.3±34.0 °C(Predicted)
Dichte: 1.225 · 1.225±0.06 g/cm3(Predicted)
pka: 13.57 · 13.57±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.