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| CAS No.: | 2303-16-4 |
|---|---|
| Name: | DIALLATE |
| Article Data: | 2 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H17 Cl2 N O S |
| Molecular Weight: | 270.223 |
| Synonyms: | Carbamicacid, diisopropylthio-, S-(2,3-dichloroallyl) ester (6CI,8CI); Carbamothioicacid, bis(1-methylethyl)-, S-(2,3-dichloro-2-propenyl) ester (9CI); 2,3-DCDT;2,3-Dichloroallyl N,N-diisopropylthiolcarbamate; Avadex; CP 15336; DATC;Di-allate; S-(2,3-Dichloroallyl) diisopropylthiocarbamate |
| Density: | 1.18g/cm3 |
| Melting Point: | 25-30oC |
| Boiling Point: | 306°Cat760mmHg |
| Flash Point: | 138.9°C |
| Solubility: | 40mg/L(room temperature) |
| Appearance: | CLEAR COLORLESS TO PALE YELLOW LIQUID |
| Hazard Symbols: |
 
|
| Risk Codes: | 22-40-50/53 |
| Safety: | Poison by ingestion. Moderately toxic by skin contact. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx. See also CARBAMATES and ALLYL COMPOUNDS. |
| PSA: | 45.61000 |
| LogP: | 4.27740 |
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Chemistry
Product Name: Di-allate (CAS NO.2303-16-4)
Molecular Formula: C10H17Cl2NOS
Molecular Weight: 270.22g/mol
Mol File: 2303-16-4.mol
Einecs: 218-961-1
Boiling point: 306 °C at 760 mmHg
Storage Temperature: 0-6°C
Flash Point: 138.9 °C
Density: 1.18 g/cm3
Surface Tension: 37.5 dyne/cm
Enthalpy of Vaporization: 54.65 kJ/mol
Vapour Pressure: 0.000791 mmHg at 25°C
XLogP3-AA: 3.6
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of Di-allate (CAS NO.2303-16-4):
IUPAC Name: S-[(Z)-2,3-dichloroprop-2-enyl] N,N-di(propan-2-yl)carbamothioate
Canonical SMILES: CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl
Isomeric SMILES: CC(C)N(C(C)C)C(=O)SC/C(=C/Cl)/Cl
InChI: InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5-
InChIKey: SPANOECCGNXGNR-UITAMQMPSA-N
Product Categories: Alphabetic; D; DIA - DICPesticides&Metabolites; Herbicides; Thiocarbamates
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | 510mg/kg (510mg/kg) | "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 71, 1976. | |
| guinea pig | LD50 | oral | 420mg/kg (420mg/kg) | VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION BLOOD: HEMORRHAGE GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Hygiene and Sanitation Vol. 34(10-12), Pg. 356, 1969. |
| mammal (species unspecified) | LD50 | unreported | 395mg/kg (395mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(5), Pg. 29, 1980. | |
| rabbit | LD50 | skin | 2gm/kg (2000mg/kg) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A130, Pg. 1984, | |
| rat | LD50 | oral | 395mg/kg (395mg/kg) | Residue Reviews. Vol. 10, Pg. 97, 1965. | |
| rat | LD50 | skin | 2124mg/kg (2124mg/kg) | Fundamental and Applied Toxicology. Vol. 7, Pg. 299, 1986. | |
| rat | LD50 | unreported | 393mg/kg (393mg/kg) | "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 210, 1971. |
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. 235.(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 . 12 (1976),p. 69.(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) . EPA Genetic Toxicology Program. Community Right-To-Know List. EPA Extremely Hazardous Substances List.
Safety Profile
Poison by ingestion. Moderately toxic by skin contact. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx. See also CARBAMATES and ALLYL COMPOUNDS.
Safety Information of Di-allate (CAS NO.2303-16-4):
Hazard Codes: Xn
,N
Risk Statements: 22-40-50/53
22: Harmful if swallowed
40: Limited evidence of a carcinogenic effect
50: Very Toxic to aquatic organisms
53: May cause long-term adverse effects in the aquatic environment
Safety Statements: 25-36/37-60-61
25: Avoid contact with eyes
36: Wear suitable protective clothing
37: Wear suitable gloves
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
Di-allate ,its CAS NO. is 2303-16-4,the synonyms is 2,3-Dcdt ; 2,3-Dichlorallyl-N,N-(diisopropyl)-thiocarbamat ; 2,3-Dichloro-2-propene-1-thiol, diisopropylcarbamate ; 2-Propene-1-thiol, 2,3-dichloro-, diisopropylcarbamate ; Avadex ; BRN 2210954 ; Bis(1-methylethyl) carbamothioic acid, S-(2,3-dichloro-2-propenyl)ester ; Carbamic acid, diisopropylthio-, S-(2,3-dichloroallyl) ester ; Carbamothioic acid, bis(1-methylethyl)-, S-(2,3-dichloro-2-propenyl) ester ; Caswell No. 299 ; Di-isopropylthiolocarbamate de S-(2,3-dichloro allyle) ; Diallaat ; Dichloroallyl diisopropylthiocarbamate ; Diisopropylthiocarbamic acid, S-(2,3-dichloroallyl) ester EINECS 218-961-1 ; EPA Pesticide Chemical Code 078801 ; HSDB 1566 ; Pyradex ; RCRA waste number U062 ; S-(2,3-Dichlor-allyl)-N,N-diisopropyl-monothiocarbamaat ; S-(2,3-Dichloro-2-propenyl) bis(1-methylethyl)carbamothioate (9CI) ; S-(2,3-Dichloro-allil)-N,N-diisopropil-monotiocarbammato ; S-2,3-Dichloroallyl diisopropylthiocarbamate .