(1,2-Thiazol-4-yl)methanol
Basic information
- CAS
170283-02-0- Standard SMILES
OCc1cnsc1- InChIKey
OVRPVAZRSIBVJO-UHFFFAOYSA-N- Molecular formula
- C4H5NOS
- Average molar mass
- 115.16 g/mol
- Monoisotopic mass
- 115.00918478
Names & identifiers
- Preferred name
- (1,2-Thiazol-4-yl)methanol
- IUPAC
- 1,2-thiazol-4-ylmethanol
- English name
- Isothiazol-4-ylMethanol
- Molecular formula
- C4H5NOS
- Molecular weight
- 115.15
Names & synonyms
170283-02-0(1,2-Thiazol-4-yl)methanolDTXSID90621460RefChem:204260DTXCID20572214965-061-6Isothiazol-4-ylmethanol(ISOTHIAZOL-4-YL)METHANOL1,2-thiazol-4-ylmethanolMFCD19688186Isothiazol-4-yl-methanolSCHEMBL435345
Show more names
4-Isothiazolemethanol4-hydroxymethylisothiazole
SCHEMBL1658963SCHEMBL5422905OVRPVAZRSIBVJO-UHFFFAOYSA-NAKOS024465128AS-42065SY147646DB-106865CS-0378941
Database identifiers
- CAS
170283-02-0- PubChem CID
- 22010122
- DTXSID
DTXSID90621460- EC Number
- 965-061-6
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 59.7
Physicochemical properties
- Boiling point
- 133.4 · 133.4±22.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.7 · 13.70±0.10(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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