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510-15-6

Basic Information
CAS No.: 510-15-6
Name: 4,4'-Dichlorobenzilic acid ethyl ester
Molecular Structure:
Molecular Structure of 510-15-6 (4,4'-Dichlorobenzilic acid ethyl ester)
Formula: C16H14 Cl2 O3
Molecular Weight: 325.191
Synonyms: Benzilicacid, 4,4'-dichloro-, ethyl ester (6CI,7CI,8CI); 4,4'-Dichlorobenzilic acid ethylester; Acar; Acaraben; Akar; Akar 338; Benzilan; Chlorbenzilat; Chlorbenzylate;Chlorobenzilate; ECB; Ethyl 4,4'-dichlorobenzilate;Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate; Folbex; G 23992; G 338; Geigy338; NSC 404460
EINECS: 208-110-2
Density: 1.332 g/cm3
Melting Point: 37ºC
Boiling Point: 452.3 °C at 760 mmHg
Flash Point: 227.4 °C
Solubility: Solubility in water very poor
Appearance: COLORLESS LIQUID W/ETHER LIKE ODOR
Hazard Symbols: HarmfulXnDangerousN
Risk Codes: 22-50/53
Safety: Suspected carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Moderately toxic by ingestion. A skin and eye irritant. A pesticide. When heated to decomposition it emits toxic fumes of Cl.
PSA: 46.53000
LogP: 3.79240
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    4,4'-Dichlorobenzilic acid ethyl ester

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  • 510-15-6	 CHLOROBENZILATE

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  • chlorobenzilate

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    chlorobenzilate

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Chemistry

Molecular Formula: C16H14Cl2O3
Molar mass: 325.19 g/mol
EINECS: 208-110-2
Density: 1.332 g/cm3
Flash Point: 227.4 °C
Index of Refraction: 1.587
Boiling Point: 452.3 °C at 760 mmHg
Vapour Pressure: 5.69E-09 mmHg at 25°C
Storage temp: 0-6°C
Appearance: Viscous yellow liquid or pale yellow crystals
Stable: Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, alkalies, lime
Product categories of Chlorobenzylate (510-15-6): Pesticides & Metabolites;Alpha sort;Pesticides & Metabolites;Acaricides
Structure of Chlorobenzylate (510-15-6):

XLogP3-AA: 4.3
H-Bond Donor: 1
H-Bond Acceptor: 3
Systematic Name: Ethyl 2,2-bis(4-chlorophenyl)-2-hydroxy-acetate 
SMILES: Clc1ccc(cc1)C(O)(c2ccc(Cl)cc2)C(=O)OCC 
InChI: InChI=1/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3 
InChIKey: RAPBNVDSDCTNRC-UHFFFAOYAH 
Std. InChI: InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3 
Std. InChIKey: RAPBNVDSDCTNRC-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 125 mg open MLD

    CIGET*    Ciba-Geigy Toxicology Data/Indexes .(Ciba-Geigy Corp.,Ardsley, NY.: )1977.
2.    

eye-rbt 25 mg MOD

    CIGET*    Ciba-Geigy Toxicology Data/Indexes .(Ciba-Geigy Corp.,Ardsley, NY.: )1977.
3.    

orl-rat TD:1752 mg/kg/2Y-C:NEO

    CTOXAO    Clinical Toxicology. 16 (1980),67.
4.    

orl-rat LD50:700 mg/kg

    WRPCA2    World Review of Pest Control. 9 (1970),119.
5.    

orl-mus LD50:729 mg/kg

    GUCHAZ    Guide to the Chemicals Used in Crop Protection 6 (1973),106.
6.    

orl-ham LD50:700 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 48 (1979),A192.

Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 30 (1983),p. 73.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 5 (1974),p. 75.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NCI Carcinogenesis Bioassay Completed; Results Positive: mouse NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-75 ,1978. . NCI Carcinogenesis Bioassay Completed; Results Indefinite: rat NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-75 ,1978. . Community Right-To-Know List. Reported in EPA TSCA Inventory.

Safety Profile

Suspected carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Moderately toxic by ingestion. A skin and eye irritant. A pesticide. When heated to decomposition it emits toxic fumes of Cl.
 

Hazard Codes: Xn,N,T
Risk Statements:
22:  Harmful if swallowed
23:  Toxic by inhalation
24:  Toxic in contact with skin
25:  Toxic if swallowed
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin
43:  May cause sensitization by skin contact
45:  May cause cancer
50:  Very Toxic to aquatic organisms
51:  Toxic to aquatic organisms
53:  May cause long-term adverse effects in the aquatic environment
63:  Possible risk of harm to the unborn child
Safety Statements:
23:  Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24:  Avoid contact with skin
25:  Avoid contact with eyes
36:  Wear suitable protective clothing
37:  Wear suitable gloves
53:  Avoid exposure - obtain special instruction before use
60:  This material and/or its container must be disposed of as hazardous waste
61:  Avoid release to the environment. Refer to special instructions safety data sheet

Specification

 Chlorobenzylate (510-15-6) also can be called Acarben 4E ; 4-Chloro-a-(4-chlorophenyl)-a-hydroxybenzeneacetic Acid Ethyl Ester ; Bis(4-chlorophényl)(hydroxy)acétate d'éthyle and Benzeneacetic acid, 4-chloro-.alpha.- (4-chlorophenyl)-.alpha.-hydroxy-, ethyl ester .