2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetic Acid
Basic information
- CAS
17969-29-8- Standard SMILES
O=C(O)Cc1csc(-c2ccc(Cl)cc2Cl)n1- InChIKey
XSZXHVFNMYQPOI-UHFFFAOYSA-N- Molecular formula
- C11H7Cl2NO2S
- Average molar mass
- 288.1 g/mol
- Monoisotopic mass
- 286.957455
Names & identifiers
- Preferred name
- 2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetic Acid
- IUPAC
- 2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetic acid
- English name
- 4-Thiazoleacetic acid, 2-(2,4-dichlorophenyl)-
- Molecular formula
- C11H7Cl2NO2S
- Molecular weight
- 288.15
Names & synonyms
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetic Acid17969-29-8SAA96929AKOS002669822EN300-60189Z3813557482-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]aceticAcid4-Thiazoleacetic acid, 2-(2,4-dichlorophenyl)-
Database identifiers
- CAS
17969-29-8- PubChem CID
- 4980313
- EC Number
- 113-410-0
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 473.3 · 473.3±55.0 °C(Predicted)
- Density
- 1.526 · 1.526±0.06 g/cm3(Predicted)
- pka
- 3.8 · 3.80±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
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, 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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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