Dimethyl 2-bromoterephthalate
Basic information
- CAS
18643-86-2- Standard SMILES
COC(=O)c1ccc(C(=O)OC)c(Br)c1- InChIKey
VUMPFOPENBVFOF-UHFFFAOYSA-N- Molecular formula
- C10H9BrO4
- Average molar mass
- 273.08 g/mol
- Monoisotopic mass
- 271.96842
Names & identifiers
- Preferred name
- Dimethyl 2-bromoterephthalate
- IUPAC
- dimethyl 2-bromobenzene-1,4-dicarboxylate
- English name
- Dimethyl 2-bromoterephthalate
- Molecular formula
- C10H9BrO4
- Molecular weight
- 273.08
Names & synonyms
Dimethyl 2-bromoterephthalate18643-86-2EINECS 242-476-4DTXSID40171905RefChem:588151DTXCID2094396242-476-4Dimethyl bromoterephthalatedimethyl 2-bromobenzene-1,4-dicarboxylateMFCD000606381,4-dimethyl 2-bromobenzene-1,4-dicarboxylateDimethyl 2-bromotertphthalate
Show more names
2-bromo-3,5-dimethylterephthalate2-BROMOTEREPHTHALIC ACID DIMETHYL ESTER1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate
1,4-Benzenedicarboxylic acid, 2-bromo-, dimethyl esterdimethyl-2-bromo-terephthalatebromoterephthalic acid dimethyl esterAKOS015834899AS-15274SY007982o-bromoterephthalic acid dimethyl esterDiMethyl2-bromoterephthalate
Database identifiers
- CAS
18643-86-2- PubChem CID
- 87741
- DTXSID
DTXSID40171905- EC Number
- 242-476-4
- Nikkaji
- J222.262K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 52 °C · 52 °C
- Boiling point
- 323.7 · 323.7±22.0 °C(Predicted)
- Density
- 1.505 · 1.505±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Yellow to Orange
- CAS DataBase Reference
- 18643 · 18643-86-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · 1,4-Benzenedicarboxylic acid, 2-bromo-, dimethyl ester(18643-86-2)
- Comptox DTXSID
- 40171905 · DTXSID40171905
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2917399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
22 records
Compound notes
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