CAS No.300-76-5,DIBROM Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	300-76-5
Name:	DIBROM

Formula:	C₄H₇Br₂Cl₂O₄P
Molecular Weight:	380.785
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;
EINECS:	206-098-3
Density:	2.032 g/cm³
Melting Point:	26.5-27.5oC
Boiling Point:	273.8 °C at 760 mmHg
Flash Point:	119.4 °C
Solubility:	2000mg l-1(20 °C)
Appearance:	Clear colorless liquid
Hazard Symbols:	Xn, N
Risk Codes:	21/22-36/38-50
Safety:	36/37-61
Transport Information:	UN 3018
PSA:	54.57000
LogP:	3.65120

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Standards and Recommendations

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)

Specification

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.