Diethyl (5-bromopentyl)propanedioate
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Basic information
- CAS
1906-95-2- Standard SMILES
CCOC(=O)C(CCCCCBr)C(=O)OCC- InChIKey
JZCAZGWJCVMTTQ-UHFFFAOYSA-N- Molecular formula
- C12H21BrO4
- Average molar mass
- 309.2 g/mol
- Monoisotopic mass
- 308.06232
Names & identifiers
- Preferred name
- Diethyl (5-bromopentyl)propanedioate
- IUPAC
- diethyl 2-(5-bromopentyl)propanedioate
- English name
- (5-BROMOPENTYL)MALONIC ACID DIETHYL ESTER
- Molecular formula
- C12H21BrO4
- Molecular weight
- 309.2
Names & synonyms
1906-95-2Diethyl (5-bromopentyl)propanedioateDTXSID00402863RefChem:337690DTXCID30353718(5-Bromopentyl)malonic Acid Diethyl EsterDiethyl (5-Bromopentyl)malonatediethyl 2-(5-bromopentyl)malonate1,3-diethyl 2-(5-bromopentyl)propanedioateDiethyl 2-(5-bromopentyl)propanedioateMFCD00048565Propanedioic acid, 2-(5-bromopentyl)-, 1,3-diethyl ester
Show more names
Diethyl (5-Bromopentyl)malonate >Bromophentylmalonicaciddiethylester(5-Bromophentyl)malonic acdi diethyl ester(5-BROMOPENTYL)MALONIC ACID DIETHYL ESTER 95+%
C12H21BrO4SCHEMBL4089564diethyl2-(5-bromopentyl)malonateDIETHYL 5-BROMOAMYLMALONATEAKOS025294804AS-70128SY053523(5-Bromophentyl)malonic acid diethyl ester
Database identifiers
- CAS
1906-95-2- PubChem CID
- 4401294
- DTXSID
DTXSID00402863- Nikkaji
- J2.485.270I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 161 °C · 161°C 3mm
- Density
- 1 · 1,46 g/cm3
- refractive index
- 1.458 · 1.4580-1.4620
- pka
- 12.88 · 12.88±0.59(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- CAS DataBase Reference
- 1906 · 1906-95-2
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2917.19 · 2917.19.7050
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
- hs_code
- 2917.19.7050
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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