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Cyanuric chloride

  • Name Cyanuric chloride
  • EINECS203-614-9
  • CAS No. 108-77-0
  • Density1.757 g/cm3
  • PSA38.67000
  • LogP1.83180
  • SolubilitySoluble in organic solvents and hydrolyze in water
  • Melting Point154 °C
  • FormulaC3Cl3N3
  • Boiling Point190 °C at 760 mmHg
  • Molecular Weight184.412
  • Flash Point214.4 °C
  • Transport InformationUN 2670 8/PG 2
  • Appearancewhite powder
  • Safety26-28-36/37/39-45-46-63-28A
  • Risk Codes14-22-26-34-43
  • Molecular Structure
    Molecular Structure of 108-77-0 (Cyanuric chloride)
  • Hazard SymbolsVeryT+,CorrosiveC
  • SynonymsVeryT+,CorrosiveC
  • Article Data117

Cyanuric chloride Synthetic route

30863-82-2

2,4,6-tris(phenylthio)-1,3,5-triazine

108-77-0

1,3,5-trichloro-2,4,6-triazine

Conditions
ConditionsYield
With chlorine In dichloromethane at -45℃; under 2 Torr; Chlorination; Irradiation;100%
108-80-5

isocyanuric acid

108-77-0

1,3,5-trichloro-2,4,6-triazine

Conditions
ConditionsYield
With N,N-diethylaniline; trichlorophosphate for 3h; Heating;90%
With phosphorus pentachloride
With phosphorus pentachloride; trichlorophosphate

cyameluric acid tripotassium salt

108-77-0

1,3,5-trichloro-2,4,6-triazine

Conditions
ConditionsYield
With phosphorus pentachloride; trichlorophosphate at 110℃; for 6h; Inert atmosphere;77%
290-87-9

1,3,5-Triazine

108-77-0

1,3,5-trichloro-2,4,6-triazine

Conditions
ConditionsYield
With chlorine In tetrachloromethane byproducts: 2,4-dichloro-1,3,5-triazin; 200°C, 7 h;25%
290-87-9

1,3,5-Triazine

A

2831-66-5

2,4-dichloro-1,3,5-triazine

B

108-77-0

1,3,5-trichloro-2,4,6-triazine

Conditions
ConditionsYield
With chlorine In tetrachloromethane in closed tube at 140-200°C;A 4%
B 25%
With Cl2 In tetrachloromethane
556-64-9

methyl thiocyanate

108-77-0

1,3,5-trichloro-2,4,6-triazine

Conditions
ConditionsYield
With chlorine im Sonnenlicht;
74-90-8

hydrogen cyanide

108-77-0

1,3,5-trichloro-2,4,6-triazine

Conditions
ConditionsYield
With chlorine im Sonnenlicht;
With diethyl ether; chlorine
With chloroform; chlorine
333-20-0

potassium thioacyanate

108-77-0

1,3,5-trichloro-2,4,6-triazine

Conditions
ConditionsYield
With chlorine
506-77-4

cyanogen chloride

A

2831-66-5

2,4-dichloro-1,3,5-triazine

B

108-77-0

1,3,5-trichloro-2,4,6-triazine

Conditions
ConditionsYield
With hydrogenchloride; hydrogen cyanide
506-77-4

cyanogen chloride

108-77-0

1,3,5-trichloro-2,4,6-triazine

Conditions
ConditionsYield
at 280 - 300℃; durch Trimerisierung;
With alkaline earth chlorides; pyrographite at 200 - 500℃; durch Trimerisierung;
With pyrographite durch Trimerisierung;

Cyanuric chloride Specification

The Cyanuric chloride with CAS registry number of 108-77-0 is also known as 2,4,6-Trichloro-1,3,5-triazine. The IUPAC name is 2,4,6-Trichloro-1,3,5-triazine. It belongs to product categories of Intermediates of Dyes and Pigments; Organics; Chlorination; Halogenation; Synthetic Organic Chemistry; Dyestuff Intermediates. Its EINECS registry number is 203-614-9. In addition, the formula is C3Cl3N3 and the molecular weight is 184.41. This chemical is a white powder and should be stored in sealed containers in cool, dry and ventilated place away from strong oxidants, acid, water and alcohol.

Physical properties about Cyanuric chloride are: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 19.41; (5)ACD/BCF (pH 7.4): 19.41; (6)ACD/KOC (pH 5.5): 290.78; (7)ACD/KOC (pH 7.4): 290.78; (8)#H bond acceptors: 3; (9)Index of Refraction: 1.585; (10)Molar Refractivity: 35.21 cm3; (11)Molar Volume: 104.9 cm3; (12)Surface Tension: 64.3 dyne/cm; (13)Density: 1.757 g/cm3; (14)Flash Point: 214.4 °C; (15)Enthalpy of Vaporization: 40.88 kJ/mol; (16)Boiling Point: 190 °C at 760 mmHg; (17)Vapour Pressure: 0.767 mmHg at 25 °C.

Preparation of Cyanuric chloride: it is prepared in two steps from hydrogen cyanide via the intermediacy of cyanogen chloride, which is trimerized at elevated temperatures over a carbon catalyst.

(1) HCN+Cl2→ClCN+HCl

(2) 3ClCN→(ClCN)3

Uses of Cyanuric chloride: it is used as a reagent in organic synthesis for the conversion of alcohols and carboxylic acids into alkyl and acyl chlorides. It is mainly used for the synthesis of fluorescent brightener, reactive dye, pharmaceutical, pesticide and so on.

Cyanuric chloride is used as a reagent in organic synthesis for the conversion of alcohols and carboxylic acids into alkyl and acyl chlorides.

When you are using this chemical, please be cautious about it. As a chemical, it is very toxic by inhalation or swallowed and may cause sensitisation by skin contact. What's more, it reacts violently with water and can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately. If swallowed, seek medical advice immediately and show this container or label. Besides, if accident happens or you feel unwell seek medical advice immediately. In case of accident by inhalation: remove casualty to fresh air and keep at rest.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1(=NC(=NC(=N1)Cl)Cl)Cl
2. InChI: InChI=1S/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1
3. InChIKey: MGNCLNQXLYJVJD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 10mg/m3/2H (10mg/m3) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

MUSCULOSKELETAL: OTHER CHANGES
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 12(8), Pg. 35, 1968.
mouse LD50 intraperitoneal 10mg/kg (10mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4891, 1982.
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07336,
mouse LD50 oral 350mg/kg (350mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 12(8), Pg. 35, 1968.
rat LD50 oral 485mg/kg (485mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 12(8), Pg. 35, 1968.

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