5-Chloro-2-(ethylamino)benzoic acid
Basic information
- CAS
37494-82-9- Standard SMILES
CCNc1ccc(Cl)cc1C(=O)O- InChIKey
DSSAJVLTBRCVQP-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO2
- Average molar mass
- 199.63 g/mol
- Monoisotopic mass
- 199.0400063
Names & identifiers
- Preferred name
- 5-Chloro-2-(ethylamino)benzoic acid
- IUPAC
- 5-chloro-2-(ethylamino)benzoic acid
- English name
- 5-chloro-2-(ethylamino)benzoic Acid
- Molecular formula
- C9H10ClNO2
- Molecular weight
- 199.63
Names & synonyms
5-chloro-2-(ethylamino)benzoic acid37494-82-9SCHEMBL1397659DSSAJVLTBRCVQP-UHFFFAOYSA-N5-Chloro-N-ethyl anthranilic acid5-chloro-2-(ethylamino)benzoicacid5-chloro-2-ethylamino-benzoic acidMBA49482STK978142AKOS002668817EN300-80410Z838078476
Show more names
Benzoic acid, 5-chloro-2-(ethylamino)-
Database identifiers
- CAS
37494-82-9- PubChem CID
- 18803167
- EC Number
- 191-391-8
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 365.8 · 365.8±27.0 °C(Predicted)
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±0.32(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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
3 records
Compound notes
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