Basic information
- CAS
14190-59-1- Standard SMILES
O=C(O)c1nccs1- InChIKey
IJVLVRYLIMQVDD-UHFFFAOYSA-N- Molecular formula
- C4H3NO2S
- Average molar mass
- 129.14 g/mol
- Monoisotopic mass
- 128.98844934
Names & identifiers
- Preferred name
- 1,3-Thiazole-2-carboxylic acid
- IUPAC
- 1,3-thiazole-2-carboxylic acid
- English name
- Thiazole-2-carboxylic acid
- Molecular formula
- C4H3NO2S
- Molecular weight
- 129.14
Names & synonyms
1,3-thiazole-2-carboxylic AcidRefChem:415731689-309-5Thiazole-2-carboxylic acid14190-59-12-THIAZOLECARBOXYLIC ACIDthiazole-2-carboxylicacidMFCD02094169thiazolecarboxylic acidCS-W019827PS-3881EN300-91129
Show more names
Thiazolic acidRARECHEM AL BE 07502-THIAZOLECARBOXYLICThiazole formic acid2-Carboxy-1,3-thiazoleThiazole-2- forMic acidThiazole-2-carboxylicacithiazol-2-carboxylic acid
BCP23473thiazole carboxylic acid2-CARBOXYTHIAZOLEAM20080317FT-0602281A19599Sothiazole-5-Carboxylic AcidSCHEMBL121301
Database identifiers
- CAS
14190-59-1- PubChem CID
- 2762733
- DTXSID
DTXSID30376402- EC Number
- 689-309-5
- Nikkaji
- J2.327.753K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Melting point
- 91.6 · 91.6-93°C
- Boiling point
- 310.6 · 310.6±25.0 °C(Predicted)
- Density
- 1.525 · 1.525±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 2.95 · 2.95±0.10(Predicted)
- form
- Solid
- Appearance
- White to off-white Solid
- Water Solubility
- Slightly soluble in water.
- InChI
- 1S/C4H3NO2S/c6-4(7)3-5-1-2-8-3/h1-2H,(H,6,7)
- InChIKey
- IJVLVRYLIMQVDD-UHFFFAOYSA-N
- SMILES
- OC(=O)c1nccs1
- CAS DataBase Reference
- 14190 · 14190-59-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (75%)
Safety data
- wgk
- 1
- hs_code
- 29349990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39-22
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesThiazole-2-carboxylic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Baoji Guokang Healthchem co.,ltd
Related reactions
5 records
Compound notes
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