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13637-63-3

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Basic Information
CAS No.: 13637-63-3
Name: CHLORINE PENTAFLUORIDE
Article Data: 14
Molecular Structure:
Molecular Structure of 13637-63-3 (CHLORINE PENTAFLUORIDE)
Formula: ClF5
Molecular Weight: 130.445
Synonyms: Chlorinepentafluoride
EINECS: 237-123-6
Density: g/cm3
Melting Point: -103 ºC
Boiling Point: -13,1 ºC
Flash Point: °C
Appearance: White to grey white crystal
Hazard Symbols: OxidizingO
Risk Codes:  O:Oxidising agent;
">  O:Oxidising agent;
Safety: 17-36/37/39
PSA: 0.00000
LogP: 2.79050
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Chemistry

IUPAC Name: (8E,10E,12E)-Heptadeca-8,10,12-trien-4,6-diyne-1,14-diol
Synonyms of  Chlorine pentafluoride (CAS NO.13637-63-3) : 2-Methylbenzotrifluoride ; Chlorine fluoride (ClF5) ; Chlorine pentafluoride [UN2548] [Poison gas]
CAS NO:13637-63-3
Molecular Formula:ClF5
Molecular Weight :130.445
Molecular Structure :
EINECS: 237-123-6
Melting point: -103°C
Boiling Point: -13,1°C
Appearance: Chlorine pentafluoride (CAS NO.13637-63-3) is a colorless gas with a sweet odor.

History

Chlorine pentafluoride has formula ClF5. It was first synthesized in 1963.Its square pyramidal structure with C4v symmetry was confirmed by its high resolution19F NMR spectrum.

Uses

 Chlorine pentafluoride (CAS NO.13637-63-3) is used as an oxidizer in propellants.

Production

Initially, a common method for synthesis of this hypervalent molecule was to react ClF3 with F2 at high temperatures and high pressures. Also, reacting metal fluorides, MClF4 (i.e. KClF4, RbClF4, CsClF4) with F2 produced ClF5 and the corresponding MF. In 1981, researchers found that NiF2 is an excellent catalyst for generating ClF5.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LC50 inhalation 122ppm/1H (122ppm) GASTROINTESTINAL: NAUSEA OR VOMITING
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE
American Industrial Hygiene Association Journal. Vol. 33, Pg. 661, 1972.
guinea pig LC50 inhalation 133mg/m3 (133mg/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 237, 1999.
monkey LC50 inhalation 173ppm/1H (173ppm) GASTROINTESTINAL: NAUSEA OR VOMITING
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
American Industrial Hygiene Association Journal. Vol. 33, Pg. 661, 1972.
mouse LC50 inhalation 57ppm/1H (57ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
GASTROINTESTINAL: CHANGESIN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE
American Industrial Hygiene Association Journal. Vol. 33, Pg. 661, 1972.
rat LC50 inhalation 122ppm/1H (122ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE
American Industrial Hygiene Association Journal. Vol. 33, Pg. 661, 1972.

Safety Profile

Poison by inhalation. A corrosive material. Vigorous reaction in contact with water or anhydrous nitric acid. Violent reaction on contact with metals. When heated to decomposition it emits very toxic fumes of Cl and F. See also CHLORINE, FLUORINE, FLUORIDES, and CHLORINE TRIFLUORIDE.

Hazard Codes OxidizingO
Safety Statements 17-36/37/39 
S17:Keep away from combustible material. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR 2548
Hazard Note Oxidising agent
HazardClass 2.3 

Standards and Recommendations

OSHA PEL: TWA 2.5 mg(F)/m3
ACGIH TLV: TWA 2.5 mg(F)/m3; BEI: 3 mg/g creatinine of fluorides in urine prior to shift; 10 mg/g creatinine of fluorides in urine at end of shift.
NIOSH REL: (Inorganic Fluorides) TWA 2.5 mg(F)/m3
DOT Classification:  2.3; Label: Poison Gas, Oxidizer, Corrosive

Specification

1.General Description:Toxic by inhalation and an irritant to skin, eyes and mucus membranes. Corrosive. Heavier than air. Under prolonged exposure to fire or intense heat the containers may violently rupture or rocket. Used as an oxidizer in propellants.
2.Air & Water Reactions :Reacts with water or moisture in the air to produce corrosive hydrofluoric acid and toxic chloride gas. Interaction with ice at -100°C, or with water vapor above 0°C is extremely vigorous .
3.Reactivity Profile : Chlorine pentafluoride is a strong oxidizing agent. Nonflammable, but likely to react vigorously on contact with combustible materials. Reacts violently with lithium, calcium. Emits highly toxic fluoride and chloride fumes when heated to decomposition. Extremely vigorous reaction with water, steam, even ice.Very vigorous reaction with anhydrous nitric acid even at -100° C
4.Health Hazard :TOXIC; may be fatal if inhaled or absorbed through skin. Fire will produce irritating, corrosive and/or toxic gases. Contact with gas or liquefied gas may cause burns, severe injury and/or frostbite. Runoff from fire control may cause pollution.
5.Fire Hazard :Substance does not burn but will support combustion. Vapors from liquefied gas are initially heavier than air and spread along ground. These are strong oxidizers and will react vigorously or explosively with many materials including fuels. May ignite combustibles (wood, paper, oil, clothing, etc.). Some will react violently with air, moist air and/or water. Cylinders exposed to fire may vent and release toxic and/or corrosive gas through pressure relief devices. Containers may explode when heated. Ruptured cylinders may rocket.