Basic information
- CAS
10443-65-9- Standard SMILES
C=C(Br)C(=O)O- InChIKey
HMENQNSSJFLQOP-UHFFFAOYSA-N- Molecular formula
- C3H3BrO2
- Average molar mass
- 150.96 g/mol
- Monoisotopic mass
- 149.93164144
Names & identifiers
- Preferred name
- 2-Bromoacrylic acid
- IUPAC
- 2-bromoprop-2-enoic acid
- English name
- 2-Bromoacrylic acid
- Molecular formula
- C3H3BrO2
- Molecular weight
- 150.96
Names & synonyms
2-Bromoacrylic acid10443-65-9CCRIS 5478EINECS 233-928-1NSC 227848.alpha.-Bromoacrylic acid2-Propenoic acid, 2-bromo-DTXSID50146487alpha-Bromoacrylic acidRefChem:85843DTXCID7068978233-928-1
Show more names
-Bromoacrylic acid-Bromoacrylic acidɑ-Bromoacrylic acid2-Bromopropenoic acid2-Bromoacrylic acid 95%
HMENQNSSJFLQOP-UHFFFAOYSA-N2-bromoprop-2-enoic acid2-BROMOACRYLICACIDMFCD00014333bromoacrylic acid2-Bromo-2-propenoic acida-bromoacrylic acid-Bromoacrylic acid
Database identifiers
- CAS
10443-65-9- PubChem CID
- 82633
- DTXSID
DTXSID50146487- ChEMBL
CHEMBL34533- EC Number
- 233-928-1
- Nikkaji
- J212.398C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 86.8
Physicochemical properties
- Melting point
- 62 · 62-65 °C (lit.)
- Boiling point
- 224.5 · 224.5±23.0 °C(Predicted)
- Density
- 1.5163 · 1.5163 (rough estimate)
- refractive index
- 1.4804 · 1.4804 (estimate)
- storage temp.
- Amber Vial, Hygroscopic, Refrigerator, Under inert atmosphere
- solubility
- DMSO (Soluble), Methanol (Sparingly)
- form
- Solid
- pka
- 2.41 · 2.41±0.11(Predicted)
- color
- Light Beige to Beige
- Water Solubility
- It is miscible with water.
- Sensitive
- Hygroscopic
- BRN
- 1740582 · 1740582
- Stability
- Hygroscopic, Light Sensitive
- InChI
- 1S/C3H3BrO2/c1-2(4)3(5)6/h1H2,(H,5,6)
- InChIKey
- HMENQNSSJFLQOP-UHFFFAOYSA-N
- SMILES
- OC(=O)C(Br)=C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H314-H335-H317-H318
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSTOT SE 3
Chemistry & industry
Applications
Uses2-Bromoacrylic acid is used as a raw material on QSAR models to predict mutagenicity of acrylates. It is used as a pharmaceutical intermediate.
Upstream & downstream products
Downstream products
Suppliers56 total
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Aladdin Scientific[email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
3 records
Compound notes
Loading…