4-[(3-Chlorophenyl)amino]-4-oxobutanoic acid
Basic information
- CAS
15386-96-6- Standard SMILES
O=C(O)CCC(=O)Nc1cccc(Cl)c1- InChIKey
FUYXHCXIVNUOJX-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO3
- Average molar mass
- 227.64 g/mol
- Monoisotopic mass
- 227.0349209
Names & identifiers
- Preferred name
- 4-[(3-Chlorophenyl)amino]-4-oxobutanoic acid
- IUPAC
- 4-(3-chloroanilino)-4-oxobutanoic acid
- English name
- 4-[(3-CHLOROPHENYL)AMINO]-4-OXOBUTANOIC ACID
- Molecular formula
- C10H10ClNO3
- Molecular weight
- 227.64
Names & synonyms
4-[(3-chlorophenyl)amino]-4-oxobutanoic acid15386-96-64-(3-chloroanilino)-4-oxobutanoic acid3-[(3-chlorophenyl)carbamoyl]propanoic acid4-((3-chlorophenyl)amino)-4-oxobutanoic acidF0777-0909CBDivE_007476Oprea1_451683DTXSID90353714N-(3-Chlorophenyl)succinamic acidSMSSF-0596010QAA38696
Show more names
ASISCHEM V90922OTAVA-BB 7113231969BUTANOIC ACID, 4-[(3-CHLOROPHENYL)AMINO]-4-OXO-
STK248645AKOS0002960184-(3-chloroanilino)-4-oxo-butanoic acidST1030813-(N-m-chlorophenylcarbamoyl)propionic acidN-(3-CHLORO-PHENYL)-SUCCINAMIC ACIDST504496193-[N-(3-chlorophenyl)carbamoyl]propanoic acid
Database identifiers
- CAS
15386-96-6- PubChem CID
- 749489
- DTXSID
DTXSID90353714- EC Number
- 163-183-7
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 150 °C · 150 °C
- Boiling point
- 481.7 · 481.7±30.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- pka
- 4 · 4+-.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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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