Basic information
- CAS
111544-93-5- Standard SMILES
CCOC(=O)C(C(=O)OCC)c1ccc(Cl)cc1Cl- InChIKey
FIGCCTUCURBNIF-UHFFFAOYSA-N- Molecular formula
- C13H14Cl2O4
- Average molar mass
- 305.15 g/mol
- Monoisotopic mass
- 304.0269143
Names & identifiers
- Preferred name
- Diethyl 2-(2,4-dichlorophenyl)malonate
- IUPAC
- diethyl 2-(2,4-dichlorophenyl)propanedioate
- English name
- DIETHYL 2,4-DICHLOROPHENYL MALONATE
- Molecular formula
- C13H14Cl2O4
- Molecular weight
- 305.15
Names & synonyms
Diethyl 2-(2,4-dichlorophenyl)malonate111544-93-5DTXSID30371134RefChem:337790DTXCID50322168Diethyl 2,4-dichlorophenyl malonateDiethyl 2-(2,4-dichlorophenyl)propanedioateMFCD00831103Diethyl (2,4-dichlorophenyl)malonate1,3-diethyl 2-(2,4-dichlorophenyl)propanedioateDiethyl (2,4-dichlorophenyl)propanedioateDIETHYL 2,4-DICHLOROPHENYLMALONATE
Show more names
2-(2,4-Dichlorophenyl)-malonic acid diethylesterPropanedioic acid, 2-(2,4-dichlorophenyl)-, 1,3-diethyl ester
SCHEMBL1432899FIGCCTUCURBNIF-UHFFFAOYSA-NAKOS005256410PS-7107DB-007414CS-0212484
Database identifiers
- CAS
111544-93-5- PubChem CID
- 2736112
- DTXSID
DTXSID30371134- EC Number
- 681-030-7
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 136 · 136-139/0.05mm
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- pka
- 9.94 · 9.94±0.46(Predicted)
- form
- liquid
- color
- Clear
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2917198090 · 2917198090
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2917198090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Chemistry & industry
Suppliers10 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
禹州焓碳医药科技有限公司19963477321; 19963477321 · [email protected]
Related reactions
16 records
Compound notes
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