Ethyl 3,4-dibromobenzoate
Basic information
- CAS
60469-88-7- Standard SMILES
CCOC(=O)c1ccc(Br)c(Br)c1- InChIKey
KFYLGKGKNMCPKV-UHFFFAOYSA-N- Molecular formula
- C9H8Br2O2
- Average molar mass
- 307.97 g/mol
- Monoisotopic mass
- 305.8891
Names & identifiers
- Preferred name
- Ethyl 3,4-dibromobenzoate
- IUPAC
- ethyl 3,4-dibromobenzoate
- English name
- 3,4-DIBROMOBENZOIC ACID ETHYL ESTER
- Molecular formula
- C9H8Br2O2
- Molecular weight
- 307.97
Names & synonyms
ethyl 3,4-dibromobenzoate60469-88-7DTXSID00484725RefChem:343027DTXCID004355353,4-DIBROMOBENZOIC ACID ETHYL ESTERMFCD02258777ethyl3,4-dibromobenzoateSCHEMBL22468902AKOS015890299FD69946AS-62321
Show more names
RARECHEM AL BI 1504Benzoic acid, 3,4-dibromo-, ethyl ester3,4-dibromo-Benzoic acid ethyl ester (9CI ACI)Benzoic acid, 3,4-dibromo-, ethyl ester (9CI, ACI)
SY124503DB-011546CS-0036162
Database identifiers
- CAS
60469-88-7- PubChem CID
- 12288596
- DTXSID
DTXSID00484725- Nikkaji
- J90.108C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…