Bis(ethoxycarbonyl)benzene-1,3-dicarboxylate
Basic information
- CAS
22483-52-9- Standard SMILES
CCOC(=O)OC(=O)c1cccc(C(=O)OC(=O)OCC)c1- InChIKey
SXIBCLRNZISNIZ-UHFFFAOYSA-N- Molecular formula
- C14H14O8
- Average molar mass
- 310.26 g/mol
- Monoisotopic mass
- 310.0688674
Names & identifiers
- Preferred name
- Bis(ethoxycarbonyl)benzene-1,3-dicarboxylate
- IUPAC
- bis(ethoxycarbonyl) benzene-1,3-dicarboxylate
- English name
- isophthalic acid, dianhydride with diethyl bis(hydrogen carbonate)
- Molecular formula
- C14H14O8
- Molecular weight
- 310.25616
Names & synonyms
22483-52-9Isophthalic acid, dianhydride with diethyl bis(hydrogen carbonate)60KZF3V7LUEINECS 245-027-0Diethyl 1,3-phenylenedicarbonyl biscarbonateBis(ethoxycarbonyl)benzene-1,3-dicarboxylateDTXSID701770111,3-BENZENEDICARBOXYLICACID,ANHYDRIDE WITH DIETHANE CARBONATERefChem:569080DTXCID2099502245-027-0UNII-60KZF3V7LU
Show more names
1,3-Benzenedicarboxylic acid bis(ethoxycarbonyl) esterIsophthalic acid,anhydride with ethylhydrogen carbonateIsophthalic acid, anhydride with ethylhydrogen carbonate
NS00027197Diethyl (1,3-phenylene)dicarbonyl biscarbonate
Database identifiers
- CAS
22483-52-9- PubChem CID
- 89729
- DTXSID
DTXSID70177011- UNII
- 60KZF3V7LU
- EC Number
- 245-027-0
- Nikkaji
- J286.219K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- FDA UNII
- 60 KZF3V7LU · 60KZF3V7LU
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- REACH Registrations
- Active
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Isophthalic acid, dianhydride with diethyl bis(hydrogen carbonate) (EC: 245-027-0)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…