Basic information
- CAS
1337958-87-8- Standard SMILES
COC(=O)c1cc(Br)cc(C(=O)OC)c1Br- InChIKey
GCPAOHQBVHGERO-UHFFFAOYSA-N- Molecular formula
- C10H8Br2O4
- Average molar mass
- 351.98 g/mol
- Monoisotopic mass
- 349.87893
Names & identifiers
- Preferred name
- Dimethyl 2,5-dibromoisophthalate
- IUPAC
- dimethyl 2,5-dibromobenzene-1,3-dicarboxylate
- English name
- DiMethyl 2,5-dibroMoisophthalate
- Molecular formula
- C10H8Br2O4
- Molecular weight
- 351.98
Names & synonyms
Dimethyl 2,5-dibromoisophthalate1337958-87-8dimethyl 2,5-dibromobenzene-1,3-dicarboxylateMFCD279234171,3-dimethyl 2,5-dibromobenzene-1,3-dicarboxylateDimethyl 25-dibromoisophthalateDimethyl2,5-dibromoisophthalateSCHEMBL6439053DTXSID40626607AKOS022175539DS-3065DB-170814
Show more names
1,3-Benzenedicarboxylic acid, 2,5-dibromo-, 1,3-dimethyl ester
CS-0150900C72342
Database identifiers
- CAS
1337958-87-8- PubChem CID
- 22572012
- DTXSID
DTXSID40626607- Nikkaji
- J3.045.596G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 354.6 · 354.6±37.0 °C(Predicted)
- Density
- 1.781 · 1.781±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers7 total
Aladdin Scientific[email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…