Basic information
- CAS
61433-91-8- Standard SMILES
O=C(CBr)OCC(F)(F)F- InChIKey
IKQJUNXXIIHEKP-UHFFFAOYSA-N- Molecular formula
- C4H4BrF3O2
- Average molar mass
- 220.97 g/mol
- Monoisotopic mass
- 219.93467613
Names & identifiers
- Preferred name
- Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester
- IUPAC
- 2,2,2-trifluoroethyl 2-bromoacetate
- English name
- Bromoacetic acid 2,2,2-trifluoroethyl ester
- Molecular formula
- C4H4BrF3O2
- Molecular weight
- 220.97
Names & synonyms
61433-91-8Acetic acid, bromo-, 2,2,2-trifluoroethyl ester2,2,2-Trifluoroethyl bromoacetateDTXSID4069470Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl esterRefChem:108921DTXCID60430402,2,2-trifluoroethyl 2-bromoacetateBromoacetic acid 2,2,2-trifluoroethyl esterMFCD18975644trifluoroethyl bromoacetateSCHEMBL824360
Show more names
2,2,2-trifluoroethyl2-bromoacetateAKOS026744701FB87623SY165550DB-103856EN300-188609G53585F553992
Database identifiers
- CAS
61433-91-8- PubChem CID
- 109083
- DTXSID
DTXSID4069470- EC Number
- 820-914-0
- Nikkaji
- J429.426B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- EPA Substance Registry System
- 2 · Acetic acid, bromo-, 2,2,2-trifluoroethyl ester (61433-91-8)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
- TSCA
- TSCA listed
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H302-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester: INACTIVE
Suppliers8 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
天津正泽兴科技有限公司199-2257-5710 13116104906 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
1 records
Compound notes
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