Methyl 3-bromo-2-(bromomethyl)propanoate

HCID 140895

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Basic information

CAS: 22262-60-8
Standard SMILES: COC(=O)C(CBr)CBr
InChIKey: USXVPPOARMSYGY-UHFFFAOYSA-N
Molecular formula: C5H8Br2O2
Average molar mass: 259.92 g/mol
Monoisotopic mass: 257.8891037

Names & identifiers

Preferred name: Methyl 3-bromo-2-(bromomethyl)propanoate
IUPAC: methyl 3-bromo-2-(bromomethyl)propanoate
English name: Methyl 3-bromo-2-(bromomethyl)propionate
Molecular formula: C5H8Br2O2
Molecular weight: 259.92

Names & synonyms

Methyl 3-bromo-2-(bromomethyl)propanoateRefChem:815304606-968-622262-60-8Methyl 3-bromo-2-(bromomethyl)propionateMethyl Bis(bromomethyl)acetateMFCD00011534SCHEMBL329106METHYL 2-BIS-(BROMOMETHYL)-ACETATEPMID27977313-Compound-463-Bromo-2-(bromomethyl)propionic Acid Methyl EsterMethyl beta,beta'-Dibromoisobutyrate

Show more names

Methyl3-Bromo-2-(bromomethyl)propionate>Methyl 3-bromo-2-(bromomethyl)propionate 98%Methyl 3-bromo-2-(bromomethyl)propionate,97%Methyl 3-broMo-2-(broMoMethyl)propionate, 97% 5GR3-Bromo-2-(bromomethyl)-propionic acid methyl ester

AS-38076NCI60_005942SY028615Methyl 3-bromo-2-(bromomethyl)propanoate #M2066EN300-61326Methyl 3-bromo-2-(bromomethyl)propionate, 98%3-Bromo-2-bromomethyl-propionic acid methyl ester

Database identifiers

CAS: 22262-60-8
PubChem CID: 140895
DTXSID: DTXSID00176810
ChEMBL: CHEMBL1974159
EC Number: 606-968-6
Nikkaji: J1.662.050E

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 91

Physicochemical properties

Boiling point: 60 · 60-62 °C/0.4 mmHg (lit.)
Density: 1.82 g/mL · 1.82 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.508(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light red to Green
Specific Gravity: 1.82 · 1.82
InChI: InChI=1S/C5H8Br2O2/c1-9-5(8)4(2-6)3-7/h4H,2-3H2,1H3
InChIKey: USXVPPOARMSYGY-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(CBr)CBr
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 29159000 · 29159000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.