Ethyl (4-hydroxy-1,3-thiazol-2-yl)acetate
Basic information
- CAS
79878-57-2- Standard SMILES
CCOC(=O)Cc1nc(O)cs1- InChIKey
ZZGSZEVDFGBFJX-UHFFFAOYSA-N- Molecular formula
- C7H9NO3S
- Average molar mass
- 187.22 g/mol
- Monoisotopic mass
- 187.03031432
Names & identifiers
- Preferred name
- Ethyl (4-hydroxy-1,3-thiazol-2-yl)acetate
- IUPAC
- ethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate
- English name
- (4-HYDROXY-THIAZOL-2-YL)ACETIC ACID ETHYL ESTER
- Molecular formula
- C7H9NO3S
- Molecular weight
- 187.22
Names & synonyms
79878-57-2ethyl (4-hydroxy-1,3-thiazol-2-yl)acetateDTXSID60351929RefChem:341777DTXCID00302995ethyl 2-(4-hydroxythiazol-2-yl)acetateethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate(4-Hydroxy-thiazol-2-yl)acetic acid ethyl esterMFCD004628042-Thiazoleacetic acid,4-hydroxy-, ethyl ester(4-hydroxythiazol-2-yl)acetic acid ethyl esterIFLab1_004258
Show more names
AURORA 16082CBI-BB ZERO/004598OTAVA-BB BB7012670938ETHYL 4-HYDROXY-2-THIAZOLEACETATEETHYL (4-HYDROXY-THIAZOL-2-YL)ACETATE2-Thiazoleacetic acid, 4-hydroxy-, ethyl ester2-(4-hydroxy-2-thiazolyl)acetic acid ethyl ester
SCHEMBL2844080ZZGSZEVDFGBFJX-UHFFFAOYSA-NHMS1424B12SMSSF-0062930STK699259AKOS000273025ethyl2-(4-hydroxythiazol-2-yl)acetateIDI1_010013
Database identifiers
- CAS
79878-57-2- PubChem CID
- 714236
- DTXSID
DTXSID60351929- EC Number
- 671-531-9
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 153 °C · 153 °C
- Boiling point
- 309.1 · 309.1±22.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 8.28 · 8.28±0.15(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 79878 · 79878-57-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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