CAS 26330-51-8 Methyl 2-bromo-3-methylbutanoate (HCID 228837)

Substructure search Find similar structures

Basic information

CAS: 26330-51-8
Standard SMILES: COC(=O)C(Br)C(C)C
InChIKey: CKDTYRDFEIGXNO-UHFFFAOYSA-N
Molecular formula: C6H11BrO2
Average molar mass: 195.05 g/mol
Monoisotopic mass: 193.99424169

Names & identifiers

Preferred name: Methyl 2-bromo-3-methylbutanoate
IUPAC: methyl 2-bromo-3-methylbutanoate
English name: Methyl 2-bromo-3-methylbutanoate
Molecular formula: C6H11BrO2
Molecular weight: 195.05

Names & synonyms

methyl 2-bromo-3-methylbutanoateRefChem:814188828-615-7Methyl 2-bromoisovalerate26330-51-8Butanoic acid, 2-bromo-3-methyl-, methyl esterMFCD00798412Methyl 2-bromo-3-methylbutyrateNSC21975SCHEMBL1459718NSC-21975SY102383

Show more names

Methyl a-broMoisovalerate2-bromo-2,3-dimethylbutanoateMethyl 2-bromo-3-methylbutyrat2-Bromoisovaleric acid methyl estermethyl alpha-bromo-beta-methylbutyrateButanoic acid,2-bromo-3-methyl-, methyl ester2-bromo-3-methyl-Butanoic acid methyl ester (9CI ACI)

methyl2-bromoisovalerateFT-0651089DTXSID40281558AKOS006229761GS-33312-Bromo-3-methylbutyric acid methyl este2-Bromo-3-methylbutyric acid methyl esterDB-007651

Database identifiers

CAS: 26330-51-8
PubChem CID: 228837
DTXSID: DTXSID40281558
EC Number: 828-615-7
Nikkaji: J578.844G

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 101

Physicochemical properties

Boiling point: 177 °C · 177°C (rough estimate)
Density: 1.352 · 1.3520
refractive index: 1.453 · 1.4530 (estimate)
storage temp.: 2 · Storage temp. 2-8°C
Appearance: Colorless to light yellow Liquid
CAS DataBase Reference: 26330 · 26330-51-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2915907098 · 2915907098

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.