CAS 4224-69-5 2-Propenoic acid, 2-(bromomethyl)-, methyl ester (HCID 521093)

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Basic information

CAS: 4224-69-5
Standard SMILES: C=C(CBr)C(=O)OC
InChIKey: CFTUQSLVERGMHL-UHFFFAOYSA-N
Molecular formula: C5H7BrO2
Average molar mass: 179.01 g/mol
Monoisotopic mass: 177.96294156

Names & identifiers

Preferred name: 2-Propenoic acid, 2-(bromomethyl)-, methyl ester
IUPAC: methyl 2-(bromomethyl)prop-2-enoate
English name: Methyl 2-(bromomethyl)acrylate
Molecular formula: C5H7BrO2
Molecular weight: 179.01

Names & synonyms

methyl 2-(bromomethyl)prop-2-enoateMethyl 2-(bromomethyl)-2-propenoate2-Propenoic acid, 2-(bromomethyl)-, methyl esterDTXSID4075243RefChem:479158DTXCID20400742-Propenoic acid, 2-(bromomethyl)-, methyl ester (9CI)627-431-2Methyl 2-(bromomethyl)acrylate4224-69-5MFCD000116972-(Bromomethyl)acrylic Acid Methyl Ester

Show more names

2-BROMOMETHYL METHYL ACRYLATEMethyl 2-(bromomethyl)propenoateMethyl2-(Bromomethyl)acrylate>methyl2-(bromomethyl)-2-propenoateMethyl 2-(bromomethyl)acrylate,96%2-(bromomethyl)-acrylicacimethylesterMethyl 2-(broMoMethyl)acrylate, 96% 5GRα-(Bromomethyl)acrylic acid methyl ester

2-(bromomethyl)-2-propenoicacimethylesterMethyl alpha-(bromomethyl)acrylatemethyl 2-bromomethylacrylateBRN 1852481Methyl2-(Bromomethyl)acrylateAcrylic acid, 2-(bromomethyl)-, methyl esterMethyl Bromomethyl Acrylatemethyl-2-bromomethylacrylate

Database identifiers

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 109

Physicochemical properties

Boiling point: 35 · 35-37 °C/1.3 mmHg (lit.)
Density: 1.489 g/mL · 1.489 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.490(lit.)
Flash point: 173 °F · 173 °F
storage temp.: -20 °C · -20°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Liquid
color: Clear colorless to slightly brownish
BRN: 1852481 · 1852481
Stability: Light Sensitive
InChI: InChI=1S/C5H7BrO2/c1-4(3-6)5(7)8-2/h1,3H2,2H3
InChIKey: CFTUQSLVERGMHL-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(CBr)=C
CAS DataBase Reference: 4224 · 4224-69-5(CAS DataBase Reference)
NIST Chemistry Reference: 2 · Methyl 2-(bromomethyl)acrylate(4224-69-5)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information2-Propenoic acid, 2-(bromomethyl)-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 8-10
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: AS4900000
ridadr: UN 2810 6.1/PG 2
hs_code: 29161900
risk_code: 36/37/38-41-37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 26-36-37/39-36/37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H318-H335

Chemistry & industry

Applications · 1 item

UsesMethyl (2-bromomethyl)acrylate (MBrMA) may be used as chain transfer agents in the emulsion polymerization of methyl methacrylate (MMA) and styrene. MBrMA can undergo nucleophilic substitution of carboxylic acid to form methyl 2-(acyloxymethyl)acrylates.