3-Chloro-2-fluoro-5-sulfamoylbenzoic acid
Basic information
- CAS
1423025-14-2- Standard SMILES
NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)O)c1- InChIKey
ZRANYBQAFZQAAW-UHFFFAOYSA-N- Molecular formula
- C7H5ClFNO4S
- Average molar mass
- 253.64 g/mol
- Monoisotopic mass
- 252.9611847
Names & identifiers
- Preferred name
- 3-Chloro-2-fluoro-5-sulfamoylbenzoic acid
- IUPAC
- 3-chloro-2-fluoro-5-sulfamoylbenzoic acid
- English name
- 3-chloro-2-fluoro-5-sulfamoylbenzoic acid
- Molecular formula
- C7H5ClFNO4S
- Molecular weight
- 253.64
Names & synonyms
3-chloro-2-fluoro-5-sulfamoylbenzoic acid1423025-14-2YGC02514AKOS0195480183-chloro-2-fluoro-5-sulfamoylbenzoicacidEN300-111252G59637Z1431806229Benzoic acid, 5-(aminosulfonyl)-3-chloro-2-fluoro-
Database identifiers
- CAS
1423025-14-2- PubChem CID
- 71756491
- EC Number
- 160-854-6
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 484.4 · 484.4±55.0 °C(Predicted)
- Density
- 1.724 · 1.724±0.06 g/cm3(Predicted)
- pka
- 2.37 · 2.37±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, 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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