CAS 26825-94-5 Methyl 10-bromodecanoate (HCID 554079)

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Basic information

CAS: 26825-94-5
Standard SMILES: COC(=O)CCCCCCCCCBr
InChIKey: SHCRSWJVWSAMKQ-UHFFFAOYSA-N
Molecular formula: C11H21BrO2
Average molar mass: 265.19 g/mol
Monoisotopic mass: 264.07249201

Names & identifiers

Preferred name: Methyl 10-bromodecanoate
IUPAC: methyl 10-bromodecanoate
English name: METHYL 10-BROMODECANOATE
Molecular formula: C11H21BrO2
Molecular weight: 265.19

Names & synonyms

Methyl 10-bromodecanoateDecanoic acid, 10-bromo-, methyl esterDTXSID80339143RefChem:157159DTXCID80290225839-773-1SHCRSWJVWSAMKQ-UHFFFAOYSA-N26825-94-5MFCD0023943610-Bromo-decanoic acid methyl esterMETHYL10-BROMODECANOATE10-bromodecanoic acid methyl ester

Show more names

METHYL 10-BROMODECANOATE, TECH, 90%Methyl 10-bromodecanoate 90%, technical gradeMethyl 10-bromodecanoate , Methyl 10-bromodecanoate

methyl-10bromodecanoateMethyl-10-bromodecanoateSCHEMBL454130orb3175966AKOS015950683AB92453BS-23595SY301549

Database identifiers

CAS: 26825-94-5
PubChem CID: 554079
DTXSID: DTXSID80339143
EC Number: 839-773-1
Nikkaji: J108.574C

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 14
Formal charge: 0
Complexity: 137

Physicochemical properties

Boiling point: 186 °C · 186 °C (lit.)
Density: 1.137 g/mL · 1.137 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.464(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Store at room temperature
Appearance: Light yellow to yellow Liquid
InChI: 1S/C11H21BrO2/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h2-10H2,1H3
InChIKey: SHCRSWJVWSAMKQ-UHFFFAOYSA-N
SMILES: COC(=O)CCCCCCCCCBr
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

PPE: Eyeshields, Gloves
wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501