tert-Butyl 2,3-dibromopropanoate
Basic information
- CAS
49855-41-6- Standard SMILES
CC(C)(C)OC(=O)C(Br)CBr- InChIKey
PFUYTJUZEPQIIF-UHFFFAOYSA-N- Molecular formula
- C7H12Br2O2
- Average molar mass
- 287.98 g/mol
- Monoisotopic mass
- 285.9204
Names & identifiers
- Preferred name
- tert-Butyl 2,3-dibromopropanoate
- IUPAC
- tert-butyl 2,3-dibromopropanoate
Names & synonyms
tert-Butyl 2,3-dibromopropanoate49855-41-6t-butyl 2,3-dibromopropionateSCHEMBL6337940tert-Butyl2,3-dibromopropanoatePropanoic acid, 2,3-dibromo-, 1,1-dimethylethyl esterZBA85541tert-Butyl 2,3-dibromopropanoate #MFCD31664932SY391079EN300-140068G47155
Database identifiers
- CAS
49855-41-6- PubChem CID
- 545325
- EC Number
- 156-290-5
- Nikkaji
- J1.453.477F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
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%)
Suppliers
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Related reactions
1 records
Compound notes
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