2-Hydroxypropyl bromoacetate
Basic information
- CAS
4189-47-3- Standard SMILES
CC(O)COC(=O)CBr- InChIKey
YLKMTQHJTPXQOL-UHFFFAOYSA-N- Molecular formula
- C5H9BrO3
- Average molar mass
- 197.03 g/mol
- Monoisotopic mass
- 195.97351
Names & identifiers
- Preferred name
- 2-Hydroxypropyl bromoacetate
- IUPAC
- 2-hydroxypropyl 2-bromoacetate
- English name
- 2-hydroxypropyl bromoacetate
- Molecular formula
- C5H9BrO3
- Molecular weight
- 197.03
Names & synonyms
2-Hydroxypropyl bromoacetateNalcon 240Caswell No. 1141-Bromoacetoxy-2-propanolEINECS 224-066-72-Propanol, 1-bromoacetoxy-1,2-Propanediol 1-(bromoacetate)Acetic acid, bromo-, 2-hydroxypropyl esterEPA Pesticide Chemical Code 008704UNII-H4RQ9A7855H4RQ9A78551-(BROMOACETOXY)-2-PROPANOL
Show more names
Nalcon-240Bromoacetic acid 2-hydroxypropyl ester
DTXSID0041430ACETIC ACID, 2-BROMO-, 2-HYDROXYPROPYL ESTERRefChem:87606DTXCID8021430224-066-74189-47-3YLKMTQHJTPXQOL-UHFFFAOYSA-NNS00031066
Database identifiers
- CAS
4189-47-3- PubChem CID
- 107239
- DTXSID
DTXSID0041430- UNII
- H4RQ9A7855
- EC Number
- 224-066-7
- Nikkaji
- J55.302F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.2
Physicochemical properties
- Density
- 1.5666 · 1.5666 (rough estimate)
- refractive index
- 1.463 · 1.4630 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 RQ9A7855 · H4RQ9A7855
- EPA Substance Registry System
- 2 · 2-Hydroxypropyl bromoacetate (4189-47-3)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…