2,3,4,5-Tetrachloro-6-[(3-chloro-2-methylphenyl)carbamoyl]benzoic acid
Basic information
- CAS
77106-14-0- Standard SMILES
Cc1c(Cl)cccc1NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O- InChIKey
RNSKXEKDTXOLOC-UHFFFAOYSA-N- Molecular formula
- C15H8Cl5NO3
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 424.894682
Overview
See also: 2'-Methyl-3,3',4,5,6-pentachlorophthalanilic acid (annotation moved to).
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrachloro-6-[(3-chloro-2-methylphenyl)carbamoyl]benzoic acid
- IUPAC
- 2,3,4,5-tetrachloro-6-[(3-chloro-2-methylphenyl)carbamoyl]benzoic acid
- English name
- 2'-Methyl-3,3',4,5,6-pentachlorophthalanilic acid
- Molecular formula
- C15H8Cl5NO3
- Molecular weight
- 427.49
Names & synonyms
77106-14-0NSC2041922,3,4,5-tetrachloro-6-[(3-chloro-2-methylphenyl)carbamoyl]benzoic acidSCHEMBL7824641DTXSID20308454AKOS024432036NSC-2041922,3,4,5-tetrachloro-6-[(3-chloro-2-methylanilino)carbonyl]benzoic acid2'-Methyl-3,3',4,5,6-pentachlorophthalanilic acid2'-Methyl-3,3',4,5,6-pentachlorophthalanilic acidBenzoic acid, 2,3,4,5-tetrachloro-6-[[(3-chloro-2-methylphenyl)amino]carbonyl]-
Database identifiers
- CAS
77106-14-0- PubChem CID
- 306509
- DTXSID
DTXSID20308454
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501
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,GHS09
- Hazard statements
- H410-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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