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ETHYL 2,3-DICHLOROBENZOYLFORMATE
CAS:
180868-99-9
MW:
247.08
MF:
C10H8Cl2O3
 
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Names and ldentifier
Msds
Computational chemical data
Realated Product Infomation
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;
1.3 CAS No.
180868-99-9
1.4 CID
24722252
1.5 Molecular Formula
C10H8Cl2O3
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 InChkey
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. 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
3. Synthesis Route
180868-99-9
Total: 1 Synthesis Route
7664-93-9
2401-21-0
72 Suppliers
4755-77-5
105 Suppliers
180868-99-9
4. Precursor and Product
precursor:
4755-77-5
2401-21-0
5. Computed Properties
Molecular Weight:
247.08g/mol
Molecular Formula:
C
10
H
8
Cl
2
O
3
Compound Is Canonicalized:
True
Exact Mass:
3.3
XLogP3-AA:
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==
6. Realated Product Infomation
ETHYL 3,4-DICHLOROBENZOYLFORMATE
cas:34966-52-4
ETHYL 3,5-DICHLOROBENZOYLFORMATE
cas:845790-52-5
ETHYL PHTHALYL ETHYL GLYCOLATE
cas:84-72-0
Benzene,ethyl[(trichlorosilyl)ethyl]-
cas:259818-28-5
(2,2-DIETHOXY-ETHYL)-ETHYL-AMINE
cas:69148-92-1
ethyl 4-ethyl-3-iodobenzoate
cas:1131588-09-4
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Msds
3.
Synthesis Route
4.
Precursor and Product
5.
Computational chemical data
6.
Realated Product Infomation
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