2-Chloro-5-(pentafluorosulfur)benzoic acid
Basic information
- CAS
1431329-70-2- Standard SMILES
O=C(O)c1cc(S(F)(F)(F)(F)F)ccc1Cl- InChIKey
KNKMPGVWOPIPMH-UHFFFAOYSA-N- Molecular formula
- C7H4ClF5O2S
- Average molar mass
- 282.62 g/mol
- Monoisotopic mass
- 281.954069
Names & identifiers
- Preferred name
- 2-Chloro-5-(pentafluorosulfur)benzoic acid
- IUPAC
- 2-chloro-5-(pentafluoro-λ6-sulfanyl)benzoic acid
- English name
- 2-Chloro-5-(pentafluorosulfur)benzoicacid
- Molecular formula
- C7H4ClF5O2S
- Molecular weight
- 282.62
Names & synonyms
1431329-70-22-Chloro-5-(pentafluorosulfur)benzoic acid2-chloro-5-(pentafluoro-lambda6-sulfanyl)benzoic acid2-Chloro-5-(pentafluorothio)benzoic acidMFCD22988931DTXSID501129781GHC32970AKOS037653515JS-40302-Chloro-5-(pentafluorosulfanyl)benzoic AcidG19442EN300-3347153
Show more names
2-Chloro-5-(pentafluorosulfur)benzoicacid
F3433672-Chloro-5-(pentafluoro-lambda~6~-sulfanyl)benzoic acid2-CHLORO-5-(PENTAFLUORO-??-SULFANYL)BENZOIC ACIDSulfate(1-), (3-carboxylato-4-chlorophenyl)pentafluoro-, hydrogen (1:1), (OC-6-21)-
Database identifiers
- CAS
1431329-70-2- PubChem CID
- 73995201
- DTXSID
DTXSID501129781
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- pka
- 2.25 · 2.25±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261
- HS Code
- 2916399090 · 2916399090
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
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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