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Basic information
- CAS
18014-00-1- Standard SMILES
COC(=O)c1cc(Br)c(C(=O)OC)cc1Br- InChIKey
QXAFZEQRMJNPLY-UHFFFAOYSA-N- Molecular formula
- C10H8Br2O4
- Average molar mass
- 351.98 g/mol
- Monoisotopic mass
- 349.87893294
Names & identifiers
- Preferred name
- 1,4-Dimethyl 2,5-dibromo-1,4-benzenedicarboxylate
- IUPAC
- dimethyl 2,5-dibromobenzene-1,4-dicarboxylate
- English name
- dimethyl 2,5-dibromoterephthalate
- Molecular formula
- C10H8Br2O4
- Molecular weight
- 351.98
Names & synonyms
Dimethyl 2,5-dibromoterephthalate18014-00-1233XU2TT5SDTXSID001709191,4-Dimethyl 2,5-dibromo-1,4-benzenedicarboxylateRefChem:1053289DTXCID1093410241-919-9dimethyl 2,5-dibromobenzene-1,4-dicarboxylateMFCD00204592C10H8Br2O41,4-Benzenedicarboxylic acid, 2,5-dibromo-, 1,4-dimethyl ester
Show more names
2,5-dibromobenzene-1,4-dicarboxylic acid dimethyl ester
2,5-Dibromo-terephthalic acid dimethyl ester1,4-Benzenedicarboxylicacid, 2,5-dibromo-, 1,4-dimethyl esterDimethyl2,5-DibromoterephthalateEINECS 241-919-91,4-Benzenedicarboxylic acid, 2,5-dibromo-, dimethyl esterSCHEMBL197110AKOS015834883CCG-234043
Database identifiers
- CAS
18014-00-1- PubChem CID
- 87401
- DTXSID
DTXSID00170919- UNII
- 233XU2TT5S
- EC Number
- 241-919-9
- Nikkaji
- J82.707J
Properties
Computed structural propertiesFilling in
- 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
- 254
Physicochemical properties
- Melting point
- 148.6 °C · 148.6 °C
- Boiling point
- 362 · 362.0±37.0 °C(Predicted)
- Density
- 1.781 · 1.781±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C10H8Br2O4/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4H,1-2H3
- InChIKey
- QXAFZEQRMJNPLY-UHFFFAOYSA-N
- SMILES
- C1(C(OC)=O)=CC(Br)=C(C(OC)=O)C=C1Br
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers64 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
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Aladdin Scientific[email protected]
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Related reactions
1 records
Compound notes
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