Basic information
- CAS
17435-72-2- Standard SMILES
C=C(CBr)C(=O)OCC- InChIKey
MTCMFVTVXAOHNQ-UHFFFAOYSA-N- Molecular formula
- C6H9BrO2
- Average molar mass
- 193.04 g/mol
- Monoisotopic mass
- 191.97859
Names & identifiers
- Preferred name
- 2-(Bromomethyl)acrylic acid ethyl ester
- IUPAC
- ethyl 2-(bromomethyl)prop-2-enoate
- English name
- ETHYL 2-(BROMOMETHYL)ACRYLATE
- Molecular formula
- C6H9BrO2
- Molecular weight
- 193.04
Names & synonyms
2-(Bromomethyl)acrylic Acid Ethyl EsterRefChem:460038628-033-1Ethyl 2-(bromomethyl)acrylate17435-72-2ethyl 2-(bromomethyl)prop-2-enoate2-Propenoic acid, 2-(bromomethyl)-, ethyl esterMFCD00031518ETHYL BROMOMETHACRYLATEethyl 2-bromomethyl-2-propenoateethyl alpha-(bromomethyl)acrylate2-Bromomethyl-acrylic acid ethyl ester
Show more names
3-bromo-2-methyl-2-propenoic acid ethyl esterDK588NSC 215252DKFELEX01482-Carbethoxyallyl BromideEthyl2-(Bromomethyl)acrvlate
ethyl-2-bromomethylacrylateEthyl 2-bromomethylacrylate95% (stabilized with HQ)Ethyl2-(bromomethyl)acrylateethyl (2-bromomethyl)acrylateethyl-2-(bromomethyl)acrylateSCHEMBL377096ethyl 2-(bromomethyl)propenoate
Database identifiers
- CAS
17435-72-2- PubChem CID
- 310620
- DTXSID
DTXSID10309738- EC Number
- 628-033-1
- Nikkaji
- J668.611G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Melting point
- 134 · 134-136℃
- Boiling point
- 38 °C/0.8 · 38 °C/0.8 mmHg (lit.)
- Density
- 1.398 g/mL · 1.398 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.479(lit.)
- Flash point
- 178 °F · 178 °F
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- Liquid
- color
- Colorless to pale yellow
- BRN
- 970108 · 970108
- InChI
- InChI=1S/C6H9BrO2/c1-3-9-6(8)5(2)4-7/h2-4H2,1H3
- InChIKey
- MTCMFVTVXAOHNQ-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(CBr)=C
- CAS DataBase Reference
- 17435 · 17435-72-2(CAS DataBase Reference)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- 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 · 26-36
- RIDADR
- 2810 · UN 2810 6.1 / PGII
- WGK Germany
- 3 · 3
- F
- 10 · 10-19-23
- HazardClass
- 6.1 · 6.1
- HS Code
- 29161900 · 29161900
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 100 ml · 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
Safety data
- F
- 10-19-23
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2810 6.1 / PGII
- hs_code
- 29161900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Limited Quantities
- 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesETHYL 2-(BROMOMETHYL)ACRYLATE is an intermediate used for the synthesis of aza inhibitors of chorismate mutase.
UsesIt can be employed as an electrophile for various organometallic compounds. The organometallic derivatives of the compound can be used for the synthesis of α-methylene lactones and lactams. It can also be used for the polymerization of functionalized acrylic monomers.
General DescriptionEthyl 2-(bromomethyl)acrylate is an allylic alkylating reagent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
41 records
Compound notes
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