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CAS No.: | 510-15-6 |
---|---|
Name: | 4,4'-Dichlorobenzilic acid ethyl ester |
Molecular Structure: | |
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: | XnN |
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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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
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. |
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.
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
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 .