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Carbon tetrabromide

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Name Carbon tetrabromide EINECS 209-189-6
CAS No. 558-13-4 Density 3.39 g/cm3
Solubility Insoluble in water Melting Point 88-90 °C(lit.)
Formula CBr4 Boiling Point 181.235 °C at 760 mmHg
Molecular Weight 331.63 Flash Point 65.413 °C
Transport Information UN 2516 6.1/PG 3 Appearance colorless crystalline solid
Safety 26-36-45-27-24-61 Risk Codes 37/38-41-36-26-52/53
Molecular Structure Molecular Structure of 558-13-4 (Methane, tetrabromo-) Hazard Symbols VeryT+,IrritantXi,DangerousN
Synonyms

Carbontetrabromide (8CI);Carbon bromide (CBr4);Methane tetrabromide;NSC 6179;Tetrabromomethane;

 

Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 0.1 ppm; STEL 0.3 ppm
ACGIH TLV: TWA 0.1 ppm; STEL 0.3 ppm
DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

Specification

The Tetrabromomethane, with the CAS registry number 558-13-4, is also known as Methane, tetrabromo-. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Organics. Its EINECS registry number is 209-189-6. This chemical's molecular formula is CBr4 and molecular weight is 331.6267. Its IUPAC name is called tetrabromomethane.

Physical properties of Tetrabromomethane: (1)ACD/LogP: 3.54; (2)ACD/LogD (pH 5.5): 3.544; (3)ACD/LogD (pH 7.4): 3.544; (4)ACD/BCF (pH 5.5): 290.626; (5)ACD/BCF (pH 7.4): 290.626; (6)ACD/KOC (pH 5.5): 2017.72; (7)ACD/KOC (pH 7.4): 2017.72; (8)Index of Refraction: 1.694; (9)Molar Refractivity: 37.575 cm3; (10)Molar Volume: 97.817 cm3; (11)Surface Tension: 63.004 dyne/cm; (12)Density: 3.39 g/cm3; (13)Flash Point: 65.413 °C; (14)Enthalpy of Vaporization: 40.038 kJ/mol; (15)Boiling Point: 181.235 °C at 760 mmHg; (16)Vapour Pressure: 1.17 mmHg at 25°C.

Preparation: this chemical can be prepared by CCl4 and AlBr3.

Uses of Tetrabromomethane: It is used as a solvent for greases, waxes and oils, in plastic and rubber industry for blowing and vulcanization, further for polymerization, as a sedative and as an intermediate in manufacturing agrochemicals. Due to its non-flammability it is used as an ingredient in fire resistant chemicals. It is also used for separating minerals because of its high density.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It may present an immediate or delayed danger to one or more components of the environment. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(Br)(Br)(Br)Br
(2)InChI: InChI=1S/CBr4/c2-1(3,4)5
(3)InChIKey: HJUGFYREWKUQJT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01612,
mouse LD50 subcutaneous 298mg/kg (298mg/kg)   Toxicology and Applied Pharmacology. Vol. 4, Pg. 354, 1962.

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