CAS 68867-18-5 2-Methyl-1,3-benzothiazol-6-ol (HCID 759304)

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Basic information

CAS: 68867-18-5
Standard SMILES: Cc1nc2ccc(O)cc2s1
InChIKey: ROFBPPIQUBJMRO-UHFFFAOYSA-N
Molecular formula: C8H7NOS
Average molar mass: 165.21 g/mol
Monoisotopic mass: 165.02483502

Names & identifiers

Preferred name: 2-Methyl-1,3-benzothiazol-6-ol
IUPAC: 2-methyl-1,3-benzothiazol-6-ol
English name: 2-Methyl-1,3-benzothiazol-6-ol
Molecular formula: C8H7NOS
Molecular weight: 165.21

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 159 · 159-161℃
Boiling point: 28 °C · 28 °C(Press: 3 Torr)
Density: 1.365 · 1.365±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 8.68 · 8.68±0.40(Predicted)
Appearance: Off-white to gray Solid
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 301 · H301-H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P280a-P301+P310a-P405-P501a
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 2934208090 · 2934208090

Safety & regulation

GHS classification

GHS Classification · 5 items

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.