2-Acetylthiazole-4-carboxylic acid
Basic information
- CAS
13139-47-4- Standard SMILES
CC(=O)c1nc(C(=O)O)cs1- InChIKey
SQOJCKCNKKLIFE-UHFFFAOYSA-N- Molecular formula
- C6H5NO3S
- Average molar mass
- 171.18 g/mol
- Monoisotopic mass
- 170.9990142
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Acetylthiazole-4-carboxylic acid
- IUPAC
- 2-acetyl-1,3-thiazole-4-carboxylic acid
- English name
- 2-acetylthiazole-4-carboxylic acid
- Molecular formula
- C6H5NO3S
- Molecular weight
- 171.17
Names & synonyms
2-Acetylthiazole-4-carboxylic acid13139-47-44-Thiazolecarboxylic acid, 2-acetyl-2-AtcaDTXSID80157021RefChem:85014DTXCID40795122-acetyl-1,3-thiazole-4-carboxylic acid2-Acetylthiazole-4-carboxylicacidSCHEMBL1808582SQOJCKCNKKLIFE-UHFFFAOYSA-NNAA13947
Show more names
AKOS006272188CS-0372924EN300-261449G42788
Database identifiers
- CAS
13139-47-4- PubChem CID
- 193473
- DTXSID
DTXSID80157021- EC Number
- 834-929-5
- Nikkaji
- J3.080.352C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H332-H312-H315-H335-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H332-H312-H315-H335-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
3 records
Compound notes
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