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Name |
Dibrom |
EINECS | 206-098-3 |
CAS No. | 300-76-5 | Density | 2.032 g/cm3 |
PSA | 54.57000 | LogP | 3.65120 |
Solubility | 2000mg l-1(20 °C) | Melting Point |
26.5-27.5oC |
Formula | C4H7Br2Cl2O4P | Boiling Point | 273.8 °C at 760 mmHg |
Molecular Weight | 380.785 | Flash Point | 119.4 °C |
Transport Information | UN 3018 | Appearance | Clear colorless liquid |
Safety | 36/37-61 | Risk Codes | 21/22-36/38-50 |
Molecular Structure | Hazard Symbols | Xn, N | |
Synonyms |
Ethanol,1,2-dibromo-2,2-dichloro-, dimethyl phosphate (6CI);1,2-Dibromo-2,2-dichloroethyl dimethyl phosphate;Alvora;BRP;Bromchlophos;Bromex;Bromex (insecticide);Bromex 50;Dibrom 8;Dibrom 8 Emulsive;Dibromfos;Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate;ENT 24988;FlibolEx;Fosbrom;Naled;O,O-Dimethyl O-(1,2-dibromo-2,2-dichloroethyl) phosphate;RE 4355;Trumpet; |
OSHA PEL: TWA 3 mg/m3 (skin)
ACGIH TLV: TWA 0.1 mg/m3 (skin, sensitizer); Not Classifiable as a Human Carcinogen
DFG MAK: 3 mg/m3
NIOSH REL: (Naled) TWA 3 mg/m3 (skin)
The Naled is an organic compound with the formula C4H7Br2Cl2O4P. The IUPAC name of this chemical is (1,2-dibromo-2,2-dichloroethyl) dimethyl phosphate. With the CAS registry number 300-76-5, it is also named as Phosphoric Acid 1,2-Dibromo-2,2-dichloroethyl Dimethyl Ester. The product's categories are Aliphatics; Phosphorylating and Phosphitylating Agents. Besides, it is used as a cholinesterase inhibitor, insecticide and acaricide.
Physical properties about Naled are: (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5): 1.86; (3)ACD/LogD (pH 7.4): 1.86; (4)ACD/BCF (pH 5.5): 15.34; (5)ACD/BCF (pH 7.4): 15.34; (6)ACD/KOC (pH 5.5): 245.7; (7)ACD/KOC (pH 7.4): 245.7; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 54.57 Å2; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 57.77 cm3; (13)Molar Volume: 187.3 cm3; (14)Polarizability: 22.9×10-24cm3; (15)Surface Tension: 49.1 dyne/cm; (16)Density: 2.032 g/cm3; (17)Flash Point: 119.4 °C; (18)Enthalpy of Vaporization: 49.15 kJ/mol; (19)Boiling Point: 273.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0094 mmHg at 25°C.
Preparation: this chemical can be prepared by dichlorvos and benzoyl peroxide. This reaction will need reagent carbon tetrachloride at temperature of 80 °C.
When you are using this chemical, please be cautious about it as the following:
It is harmful in contact with skin and if swallowed. Besides, this chemical is irritating to eyes and skin and very toxic to aquatic organisms. When you are using it, wear suitable protective clothing and gloves and avoid release to the environment. Refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Br)(Cl)C(Br)OP(=O)(OC)OC
(2)InChI: InChI=1/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3
(3)InChIKey: BUYMVQAILCEWRR-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3
(5)Std. InChIKey: BUYMVQAILCEWRR-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
duck | LD50 | oral | 52mg/kg (52mg/kg) | Down to Earth. Vol. 35, Pg. 25, 1979. | |
mammal (species unspecified) | LD50 | oral | 430mg/kg (430mg/kg) | Herba Polonica. Vol. 21, Pg. 53, 1975. | |
mouse | LC | inhalation | > 1500mg/m3/6H (1500mg/m3) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A289, Pg. 1983, | |
mouse | LD50 | intraperitoneal | 84mg/kg (84mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 56, 1982. | |
mouse | LD50 | oral | 222mg/kg (222mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Bulletin of Environmental Contamination and Toxicology. Vol. 19, Pg. 113, 1978. |
mouse | LD50 | skin | 600mg/kg (600mg/kg) | Japan Pesticide Information. Vol. (8), Pg. 24, 1971. | |
rabbit | LD50 | skin | 1100mg/kg (1100mg/kg) | "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 161, 1976. | |
rat | LD50 | intraperitoneal | 35mg/kg (35mg/kg) | Bulletin of Environmental Contamination and Toxicology. Vol. 19, Pg. 113, 1978. | |
rat | LD50 | oral | 92mg/kg (92mg/kg) | BEHAVIORAL: TREMOR GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 90, 1990. |
rat | LD50 | skin | 800mg/kg (800mg/kg) | World Review of Pest Control. Vol. 9, Pg. 119, 1970. |