Basic information
- CAS
303118-69-6- Standard SMILES
COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccc(Cl)cc2C)c1- InChIKey
BRMRKCJIFWCNNO-UHFFFAOYSA-N- Molecular formula
- C19H18ClNO6
- Average molar mass
- 391.8 g/mol
- Monoisotopic mass
- 391.082265
Names & identifiers
- Preferred name
- Dimethyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}terephthalate
- IUPAC
- dimethyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzene-1,4-dicarboxylate
- English name
- dimethyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}terephthalate
- Molecular formula
- C19H18ClNO6
- Molecular weight
- 391.8
Names & synonyms
dimethyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}terephthalatedimethyl 2-(2-(4-chloro-2-methylphenoxy)acetamido)terephthalateCBMicro_001929Oprea1_182780SMSF0015849AKOS001616727CB03395dimethyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzene-1,4-dicarboxylateBIM-0001959.P001EU-0071735ST50182809AE-641/14179050
Show more names
1,4-Benzenedicarboxylic acid, 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-, 1,4-dimethyl ester
SR-01000434591SR-01000434591-1F3095-42911,4-dimethyl 2-[2-(4-chloro-2-methylphenoxy)acetamido]benzene-1,4-dicarboxylatedimethyl 2-[2-(4-chloro-2-methylphenoxy)acetamido]benzene-1,4-dicarboxylatemethyl 3-[2-(4-chloro-2-methylphenoxy)acetylamino]-4-(methoxycarbonyl)benzoate303118-69-6
Database identifiers
- CAS
303118-69-6- PubChem CID
- 978595
- EC Number
- 144-511-8
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- Boiling point
- 594.7 · 594.7±50.0 °C(Predicted)
- Density
- 1.328 · 1.328±0.06 g/cm3(Predicted)
- pka
- 12.15 · 12.15±0.70(Predicted)
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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