CAS 6271-23-4 Ethyl 11-bromoundecanoate (HCID 235144)

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Basic information

CAS: 6271-23-4
Standard SMILES: CCOC(=O)CCCCCCCCCCBr
InChIKey: RGWOAXNKJWTDFA-UHFFFAOYSA-N
Molecular formula: C13H25BrO2
Average molar mass: 293.24 g/mol
Monoisotopic mass: 292.10379214

Names & identifiers

Preferred name: Ethyl 11-bromoundecanoate
IUPAC: ethyl 11-bromoundecanoate
English name: 11-Bromoundecanoic acid ethyl ester
Molecular formula: C13H25BrO2
Molecular weight: 293.24

Names & synonyms

Ethyl 11-bromoundecanoateDTXSID60284203RefChem:593370DTXCID40235354653-977-66271-23-411-Bromoundecanoic Acid Ethyl EsterMFCD00045048Ethyl11-bromoundecanoateNSC36219ethyl-11-bromoundecanoateSCHEMBL52706

Show more names

Ethyl BromoundecanoateETHYL W-BROMOUNDECANOATEEthyl11-Bromoundecanoate>11-Bromoundecanoic acid ethyl esterUndecanoic acid,11-bromo-, ethyl esterEthyl 11-bromoundecanoate , Ethyl 11-Bromoundecanoate

Ethyl 11-bromoundecanoate #orb317711611-bromoundecanoic acid-ethyl esterNSC-36219Undecanoic acid, 11-bromo-ethylesterAKOS024333956AS-58456SY053937

Database identifiers

CAS: 6271-23-4
PubChem CID: 235144
DTXSID: DTXSID60284203
EC Number: 653-977-6
Nikkaji: J257.992H

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 12
Heavy atoms: 16
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 30 · 30-31 °C(Solv: ligroine (8032-32-4))
Boiling point: 171 · 171-173 °C(Press: 10 Torr)
Density: 1.12 g/cm3 · 1.120 g/cm3
refractive index: 1.46 · 1.4600-1.4640
storage temp.: 2 · Storage temp. 2-8°C
form: clear liquid
color: Colorless to Almost colorless
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 413 · H413
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
HS Code: 2915.9 · 2915.90.1800