2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate
Basic information
- CAS
2183-38-2- Standard SMILES
CCC(C)C(Cl)(CC)C(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
ORVMNJUUJWSZDQ-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O6
- Average molar mass
- 344.75 g/mol
- Monoisotopic mass
- 344.077514
Names & identifiers
- Preferred name
- 2,4-Dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoate
- IUPAC
- (2,4-dinitrophenyl) 2-chloro-2-ethyl-3-methylpentanoate
- English name
- 2-Chlorobutyric acid 2-(1-methylpropyl)-4,6-dinitrophenyl ester
- Molecular formula
- C14H17ClN2O6
- Molecular weight
- 344.75
Names & synonyms
DTXSID409444342,4-dinitrophenyl 2-chloro-2-ethyl-3-methylpentanoateRefChem:1059793DTXCID9013727802183-38-2Thompson-hayward T-H 113-MTH 113-MENT 27,2152-(1-Methylpropyl)-4,6-dinitrophenyl 2-chlorobutanoateBUTANOIC ACID, 2-CHLORO-, 2-(1-METHYLPROPYL)-4,6-DINITROPHENYL ESTER2-Chlorobutyric acid 2-(1-methylpropyl)-4,6-dinitrophenyl esterTH-113M
Show more names
2-(SEC-BUTYL)-4,6-DINITROPHENYL 2-CHLOROBUTYRATE
Database identifiers
- CAS
2183-38-2- PubChem CID
- 16598
- DTXSID
DTXSID40944434
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 463
Physicochemical properties
- Boiling point
- 415.2 · 415.2±45.0 °C(Predicted)
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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