2-(2-Chloro-4-fluorophenylthio)acetic acid
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Basic information
- CAS
175135-76-9- Standard SMILES
O=C(O)CSc1ccc(F)cc1Cl- InChIKey
VMCXMJQJLXZIIJ-UHFFFAOYSA-N- Molecular formula
- C8H6ClFO2S
- Average molar mass
- 220.65 g/mol
- Monoisotopic mass
- 219.9761065
Names & identifiers
- Preferred name
- 2-(2-Chloro-4-fluorophenylthio)acetic acid
- IUPAC
- 2-(2-chloro-4-fluorophenyl)sulfanylacetic acid
- English name
- 2-(2-CHLORO-4-FLUOROPHENYLTHIO)ACETIC ACID
- Molecular formula
- C8H6ClFO2S
- Molecular weight
- 220.65
Names & synonyms
175135-76-92-(2-CHLORO-4-FLUOROPHENYLTHIO)ACETIC ACID2-[(2-chloro-4-fluorophenyl)sulfanyl]acetic acid2-(2-chloro-4-fluorophenyl)sulfanylacetic acid2-((2-Chloro-4-fluorophenyl)thio)acetic acidMFCD00052113[(2-CHLORO-4-FLUOROPHENYL)SULFANYL]ACETIC ACIDMaybridge3_000536SCHEMBL7819980DTXSID40384210HMS1432I08CCG-46511
Show more names
Acetic acid, 2-[(2-chloro-4-fluorophenyl)thio]-
AKOS016028502BH-0411IDI1_0119232-((2-Chloro-4-fluorophenyl)thio)aceticacid2-(2-chloro-4-fluoro-phenyl)sulfanylacetic acidSR-01000636202-1
Database identifiers
- CAS
175135-76-9- PubChem CID
- 2801045
- DTXSID
DTXSID40384210
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 195 · 195-197°C
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3261 · 3261
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3261
- hs_code
- 2930909899
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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