2-Methyl-1,3-benzothiazol-5-ol

HCID 699799

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Basic information

CAS: 68867-14-1
Standard SMILES: Cc1nc2cc(O)ccc2s1
InChIKey: LAKVUPMDDFICNR-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-5-ol
IUPAC: 2-methyl-1,3-benzothiazol-5-ol
English name: 2-Methyl-5-benzothiazolol
Molecular formula: C8H7NOS
Molecular weight: 165.21

Names & synonyms

68867-14-12-methyl-1,3-benzothiazol-5-olDTXSID40351427RefChem:474760DTXCID80302493628-788-72-methylbenzo[d]thiazol-5-ol2-Methyl-5-benzothiazolol5-benzothiazolol, 2-methyl-MFCD001922762-METHYLBENZOTHIAZOL-5-OL5-Chloro-2-(2,4-dichlorophenoxy)-phenol-13C6 Acetate

Show more names

2-Methylbenzothiazol-5-ol,97%2-METHYL-5-BENZOTHIAZOLOL 97%5-HYDROXY-2-METHYLBENZOTHIAZOLE5-Benzothiazolol,2-methyl-(6CI,9CI)

5-Chloro-2-(2,4-dichlorophenoxy)-phenol-13C6 1-Acetate2-methyl-benzothiazol-5-ol2-methyl- benzothiazol-5-olSCHEMBL282023SCHEMBL20895422-methyl-5-hydroxybenzothiazoleCHEMBL4534520SCHEMBL30106441

Database identifiers

CAS: 68867-14-1
PubChem CID: 699799
DTXSID: DTXSID40351427
ChEMBL: CHEMBL4534520
EC Number: 628-788-7
Nikkaji: J1.920.341G

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: 193 · 193-195 °C(lit.)
storage temp.: 2 · 2-8°C
InChI: 1S/C8H7NOS/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4,10H,1H3
InChIKey: LAKVUPMDDFICNR-UHFFFAOYSA-N
SMILES: Cc1nc2cc(O)ccc2s1
CAS DataBase Reference: 68867 · 68867-14-1
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29342000 · 29342000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 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.