3',4'-Dichloroglutaranilic acid
Basic information
- CAS
157101-38-7- Standard SMILES
O=C(O)CCCC(=O)Nc1ccc(Cl)c(Cl)c1- InChIKey
IBDMYGUEQMQTEN-UHFFFAOYSA-N- Molecular formula
- C11H11Cl2NO3
- Average molar mass
- 276.11 g/mol
- Monoisotopic mass
- 275.0115986
Names & identifiers
- Preferred name
- 3',4'-Dichloroglutaranilic acid
- IUPAC
- 5-(3,4-dichloroanilino)-5-oxopentanoic acid
- English name
- 5-(3,4-dichloroanilino)-5-oxopentanoic acid
- Molecular formula
- C11H11Cl2NO3
- Molecular weight
- 276.12
Names & synonyms
157101-38-73',4'-DICHLOROGLUTARANILIC ACIDRefChem:484512666-078-94-[(3,4-dichlorophenyl)carbamoyl]butanoic acid5-(3,4-dichloroanilino)-5-oxopentanoic acid5-((3,4-Dichlorophenyl)amino)-5-oxopentanoic acid5-(3,4-Dichloroanilino)-5-oxo-pentanoic acid5-[(3,4-dichlorophenyl)amino]-5-oxopentanoic acidMLS000104328CBKinase1_000070CBKinase1_012470
Show more names
Pentanoic acid, 5-[(3,4-dichlorophenyl)amino]-5-oxo-
Cambridge id 5222082Oprea1_664805CBDivE_007932SCHEMBL7822933HMS2296N24BBL008124MFCD00029874STK413476
Database identifiers
- CAS
157101-38-7- PubChem CID
- 762583
- EC Number
- 666-078-9
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 520.9 · 520.9±50.0 °C(Predicted)
- Density
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- pka
- 4.62 · 4.62±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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