ETHYL 2,3-DICHLOROBENZOYLFORMATE structure

3D Mol Similar

ETHYL 2,3-DICHLOROBENZOYLFORMATE

: Iupac Name：ethyl 2-(2,3-dichlorophenyl)-2-oxoacetate; CAS No.: 180868-99-9; Molecular Weight：247.08; Modify Date.: 2022-11-24 21:01

Request For Quotation

1. Names and Identifiers

: 1.1 Name; ETHYL 2,3-DICHLOROBENZOYLFORMATE; 1.2 Synonyms; 6066AD ACM180868999 AKOS016017069 BBV-45169133 CTK4D7733 DTXSID10641286 Ethyl (2,3-dichlorophenyl)(oxo)acetate ethyl 2-(2,3-dichlorophenyl)-2-oxoacetate ethyl 2,3-dichlorobenzoylformate, AldrichCPR FS-6458 MFCD09801402 ZINC75865371; View all

1.3 CAS No.: 180868-99-9

1.4 CID: 24722252

1.5 Molecular Formula: C10H8Cl2O3 (isomer)

1.6 Inchi: InChI=1S/C10H8Cl2O3/c1-2-15-10(14)9(13)6-4-3-5-7(11)8(6)12/h3-5H,2H2,1H3

1.7 InChIkey: AHXVZWLBSUWYJX-UHFFFAOYSA-N

1.8 Canonical Smiles: CCOC(=O)C(=O)C1=C(C(=CC=C1)Cl)Cl

1.9 Isomers Smiles: CCOC(=O)C(=O)C1=C(C(=CC=C1)Cl)Cl

2. Properties

2.1 Density: 1.362

2.1 Boiling point: 350.2°C at 760 mmHg

2.1 Refractive index: 1.542

2.1 Flash Point: 149.1°C

2.1 Precise Quality: 245.98500

2.1 PSA: 43.37000

2.1 logP: 2.73920

3. Safety and Handling

3.1 Hazard Codes: Xn

3.1 Risk Statements: 22

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

View all

5. Synthesis Route

180868-99-9Total: 1 Synthesis Route

7664-93-9

2401-21-0 72 Suppliers

4755-77-5 105 Suppliers

180868-99-9

Literatures:
US5912345 A1, ;
Yield: null

6. Precursor and Product

precursor:

4755-77-5

2401-21-0

7. Computational chemical data

Molecular Weight: 247.08g/mol
Molecular Formula: C₁₀H₈Cl₂O₃
Compound Is Canonicalized: True
XLogP3-AA: 3.3
Exact Mass: 245.9850495
Monoisotopic Mass: 245.9850495
Complexity: 255
Rotatable Bond Count: 4
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 43.4
Heavy Atom Count: 15
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBwMAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIAAAAADAagmCIyCIAABACIAqDSCAICAAAkBQAIikFAAsgIIDKBFxSCIQAkwAEIjYeIyKCOAAAAIAABAAQAAABAAAIACAAAAAAAAA==

9. Realated Product Infomation

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