2-(5-Chlorothiophen-3-yl)acetic acid
Basic information
- CAS
280760-72-7- Standard SMILES
O=C(O)Cc1csc(Cl)c1- InChIKey
PFZQOMLBCHGLQZ-UHFFFAOYSA-N- Molecular formula
- C6H5ClO2S
- Average molar mass
- 176.62 g/mol
- Monoisotopic mass
- 175.9698783
Names & identifiers
- Preferred name
- 2-(5-Chlorothiophen-3-yl)acetic acid
- IUPAC
- 2-(5-chlorothiophen-3-yl)acetic acid
- English name
- 2-(5-chlorothiophen-3-yl)acetic acid
- Molecular formula
- C6H5ClO2S
- Molecular weight
- 176.62
Names & synonyms
2-(5-chlorothiophen-3-yl)acetic acid280760-72-7RefChem:458784103-183-6SCHEMBL3955260FLA76072AKOS000280447EN300-16974883-Thiopheneacetic acid, 5-chloro-2-(5-Chloro-thien-3-yl)acetic acid
Database identifiers
- CAS
280760-72-7- PubChem CID
- 16639231
- EC Number
- 103-183-6
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 296.5 · 296.5±25.0 °C(Predicted)
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- pka
- 4.08 · 4.08±0.10(Predicted)
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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