Basic information
- CAS
5317-66-8- Standard SMILES
CCOC(=O)C(Cl)(Cl)c1ccccc1- InChIKey
XNQDHXMQDHWHRU-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2O2
- Average molar mass
- 233.09 g/mol
- Monoisotopic mass
- 232.0057849
Names & identifiers
- Preferred name
- Benzeneacetic acid, alpha,alpha-dichloro-, ethyl ester
- IUPAC
- ethyl 2,2-dichloro-2-phenylacetate
- English name
- 2,3-Dichlorophenylacetic acid ethyl ester
- Molecular formula
- C10H10Cl2O2
- Molecular weight
- 233.09
Names & synonyms
5317-66-8Ethyl dichlorophenylacetateDTXSID8074605EINECS 226-178-1Benzeneacetic acid, .alpha.,.alpha.-dichloro-, ethyl esterEC 226-178-1Benzeneacetic acid, alpha,alpha-dichloro-, ethyl esterRefChem:562888DTXCID3041370226-178-1ethyl 2,2-dichloro-2-phenylacetateMFCD22422347
Show more names
DCPAEEthyl 2-(2,3-dichlorophenyl)acetateEthyl 2,2-dichlorophenylacetateEthyl 2,3-dichlorophenylacetateEthyl=2,2-dichloro-2-phenylacetateethyl 2,2-dichloro-2-phenyl-ethanoatedichlorophenylacetic acid ethyl esterα,α-dichlorophenylacetic acidethyl ester2,3-Dichlorophenylacetic acid ethyl ester
Ethyl alpha,alpha-dichlorobenzeneacetateethyl dichloro(phenyl)acetateBenzeneacetic acid, a,a-dichloro-, ethyl esterSCHEMBL705709XNQDHXMQDHWHRU-UHFFFAOYSA-Nethyl2,2-dichloro-2-phenylacetateEthyl |A,|A-dichlorobenzeneacetateethyl 2,2-dichloro-2-phenyl-acetate
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 156 °C · 156 °C(Press: 24 Torr)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C10H10Cl2O2/c1-2-14-9(13)6-7-4-3-5-8(11)10(7)12/h3-5H,2,6H2,1H3
- InChIKey
- CANXLAXDRLYESO-UHFFFAOYSA-N
- SMILES
- C1(=CC=CC(Cl)=C1Cl)CC(=O)OCC
- EPA Substance Registry System
- Benzeneacetic acid, .alpha.,.alpha.-dichloro-, ethyl ester (5317-66-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Benzeneacetic acid, .alpha.,.alpha.-dichloro-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzeneacetic acid, .alpha.,.alpha.-dichloro-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Ethyl dichlorophenylacetate (EC: 226-178-1)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H317-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesPolymerization promoter
General Manufacturing Information
Synthetic Rubber Manufacturing
Benzeneacetic acid, .alpha.,.alpha.-dichloro-, ethyl ester: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers29 total
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南京楷煜医药科技有限公司025-86160631; 18913801556 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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