2-Methyl-1,3-benzothiazol-6-ol

HCID 759304CAS 68867-18-5

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Grundinformationen

Standard-SMILES: Cc1nc2ccc(O)cc2s1
InChIKey: ROFBPPIQUBJMRO-UHFFFAOYSA-N
Summenformel: C8H7NOS
Durchschnittliche Molmasse: 165,21 g/mol
Monoisotopische Masse: 165,02483502

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-1,3-benzothiazol-6-ol
IUPAC: 2-methyl-1,3-benzothiazol-6-ol
Englischer Name: 2-Methyl-1,3-benzothiazol-6-ol
Summenformel: C8H7NOS
Molmasse: 165.21

Namen und Synonyme

68867-18-52-Methyl-1,3-benzothiazol-6-olDTXSID90353931RefChem:474762DTXCID00304994685-681-82-methylbenzo[d]thiazol-6-ol2-Methyl-6-benzothiazolol2-methylbenzothiazol-6-olMFCD002272346-benzothiazolol, 2-methyl-6-Hydroxy-2-methylbenzothiazole

Weitere Namen anzeigen

2-Methylbenzothiazol-6-ol,96%2-Methylbenzothiazol-6-ol, 96%6-Hydroxy-2-methylbenzothiazole 97%6-Benzothiazolol,2-methyl-(6CI,7CI,9CI)

2-Methyl-benzothiazol-6-olSCHEMBL906835orb3029778SCHEMBL12188242-methyl-6-hydroxybenzothiazoleCHEMBL45331876-Hydroxy-2-methyl-benzothiazoleROFBPPIQUBJMRO-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 68867-18-5
PubChem CID: 759304
DTXSID: DTXSID90353931
ChEMBL: CHEMBL4533187
EC Number: 685-681-8
Nikkaji: J741.164B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 61,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 153

Physikochemische Eigenschaften

Schmelzpunkt: 159 · 159-161℃
Siedepunkt: 28 °C · 28 °C(Press: 3 Torr)
Dichte: 1.365 · 1.365±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 8.68 · 8.68±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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)

Aggregated GHS information provided per 44 reports by companies from 4 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.