Tetradecanoic acid, 2-bromo-, ethyl ester

HCID 85791

Notes Reactions

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Basic information

CAS: 14980-92-8
Standard SMILES: CCCCCCCCCCCCC(Br)C(=O)OCC
InChIKey: JQQZIRFEGUUJBP-UHFFFAOYSA-N
Molecular formula: C16H31BrO2
Average molar mass: 335.32 g/mol
Monoisotopic mass: 334.15074233

Names & identifiers

Preferred name: Tetradecanoic acid, 2-bromo-, ethyl ester
IUPAC: ethyl 2-bromotetradecanoate
English name: Ethyl 2-bromotetradecanoate
Molecular formula: C16H31BrO2
Molecular weight: 335.32

Names & synonyms

Ethyl 2-bromotetradecanoateTetradecanoic acid, 2-bromo-, ethyl esterEINECS 239-059-4NSC 74506DTXSID40884780RefChem:188500DTXCID101024204239-059-4JQQZIRFEGUUJBP-UHFFFAOYSA-N14980-92-8Ethyl 2-bromomyristateEthyl .alpha.-bromomyristate

Show more names

EthylbromomyristateETHYL-α-BROMOTERTADECANOATEEthyl Α-BromotetradecanoateBromomyristic acid, ethyl esterETHYL-2-BROMO-TETRADECANOIC ACID2-bromo-tetradecanoicaciethylester2-Bromotetradecanoic acid ethyl ester

ETHYL-2-BROMOMYRISTATEEthyl alpha-bromomyristateethyl -2-bromomyristateEthyl2-bromotetradecanoateethyl alpha-bromotetradecanoateethyl-alpha-bromo-tetradecanoateSCHEMBL5708286NSC74506

Database identifiers

CAS: 14980-92-8
PubChem CID: 85791
DTXSID: DTXSID40884780
EC Number: 239-059-4
Nikkaji: J38.903J

Properties

Computed structural properties

XLogP: 7.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 14
Heavy atoms: 19
Formal charge: 0
Complexity: 207

Physicochemical properties

Boiling point: 128 · 128-133 °C0.1 mm Hg(lit.)
Density: 1.062 g/mL · 1.062 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.459(lit.)
Flash point: 230 °F · >230 °F
CAS DataBase Reference: 14980 · 14980-92-8(CAS DataBase Reference)
NIST Chemistry Reference: 2 · Ethyl 2-bromotetradecanoate(14980-92-8)
EPA Substance Registry System: 2 · Tetradecanoic acid, 2-bromo-, ethyl ester (14980-92-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
tsca: TSCA listed
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P