Basic information
- CAS
52830-71-4- Standard SMILES
CCN(CC)c1ccc(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)c(C)c1- InChIKey
NCXVXMAFSITODE-UHFFFAOYSA-N- Molecular formula
- C19H17Cl4NO3
- Average molar mass
- 449.1 g/mol
- Monoisotopic mass
- 446.99625412
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrachloro-6-[4-(diethylamino)-2-methylbenzoyl]benzoic acid
- IUPAC
- 2,3,4,5-tetrachloro-6-[4-(diethylamino)-2-methylbenzoyl]benzoic acid
- English name
- 2,3,4,5-tetrachloro-6-[4-(diethylamino)-2-methylbenzoyl]benzoic acid
- Molecular formula
- C19H17Cl4NO3
- Molecular weight
- 449.16
Names & synonyms
2,3,4,5-tetrachloro-6-[4-(diethylamino)-2-methylbenzoyl]benzoic acidEINECS 258-211-0DTXSID00688122,3,4,5-Tetrachloro-6-(4-(diethylamino)-2-methylbenzoyl)benzoic acidBenzoic acid, 2,3,4,5-tetrachloro-6-[4-(diethylamino)-2-methylbenzoyl]-Benzoic acid, 2,3,4,5-tetrachloro-6-(4-(diethylamino)-2-methylbenzoyl)-RefChem:243853DTXCID5041308258-211-052830-71-4SCHEMBL11437294DB-323410
Show more names
NS000325932-(2-methyl-4-(diethylamino)benzoyl)-3,4,5,6-tetrachlorobenzoic acid2-(2-methyl-4-(diethylamino)benzoyl)3,4,5,6-tetrachlorobenzoic acid2,3,4,5-TETRACHLORO-6-[4-(DIETHYLAMINO)-2-METHYLBENZOYL ]BENZOIC ACID
Database identifiers
- CAS
52830-71-4- PubChem CID
- 104336
- DTXSID
DTXSID0068812- EC Number
- 258-211-0
- Nikkaji
- J295.813I
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 545
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzoic acid, 2,3,4,5-tetrachloro-6-[4-(diethylamino)-2-methylbenzoyl]- (52830-71-4)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2,3,4,5-tetrachloro-6-[4-(diethylamino)-2-methylbenzoyl]-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
21 records
Compound notes
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