Product Name

  • Name

    DICHLOROISOCYANURIC ACID

  • EINECS 220-487-5
  • CAS No. 2782-57-2
  • Article Data10
  • CAS DataBase
  • Density 2.06 g/cm3
  • Solubility
  • Melting Point 226.4-226.7 °C
  • Formula C3HCl2N3O3
  • Boiling Point 306.7°C at 760 mmHg
  • Molecular Weight 197.965
  • Flash Point 139.3°C
  • Transport Information UN 2465
  • Appearance white crystalline powder
  • Safety 8-26-41-60-61
  • Risk Codes 8-22-31-36/37-50/53
  • Molecular Structure Molecular Structure of 2782-57-2 (DICHLOROISOCYANURIC ACID)
  • Hazard Symbols OxidizingO; DangerousN; IrritantXi
  • Synonyms s-Triazine-2,4,6(1H,3H,5H)-trione,1,3-dichloro- (8CI);s-Triazine-2,4,6(1H,3H,5H)-trione, dichloro- (6CI);1,3-Dichloro-s-triazine-2,4,6-trione;ACL 70;CDB 60;Dichlorocyanuric acid;Dichloroisocyanurate;Dichloroisocyanuric acid;Fi Clor 71;Hilite 60;Isocyanuric dichloride;Neochlor 60;Orced;Troclosene;1,3-dichloro-1,3,5-triazinane-2,4,6-trione;1,3,5-triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-;1,3-Dichloro-1,3,5-triazinane-2,4,6-trione;1,3-Dichlor-1,3,5-triazinan-2,4,6-trion;
  • PSA 76.86000
  • LogP -1.29790

Synthetic route

cyanuric acid
108-80-5

cyanuric acid

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

Conditions
ConditionsYield
With hypochlorous anhydride In water at 15 - 25℃; for 6h; pH=2; Temperature; Large scale;96%
trichloroisocyanuric acid
87-90-1

trichloroisocyanuric acid

A

cyanuric acid
108-80-5

cyanuric acid

B

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

C

chloro-isocyanuric acid

chloro-isocyanuric acid

Conditions
ConditionsYield
With perchloric acid; water; acetic acid at 35℃; Mechanism; Thermodynamic data; Rate constant; further temperatures: 40-40 deg C; further reagent: RuCl3, KCl;
...Expand
trichloroisocyanuric acid
87-90-1

trichloroisocyanuric acid

A

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

B

HOCl

HOCl

Conditions
ConditionsYield
With water In acetic acid at 35℃; Rate constant; Mechanism;
cyanuric acid
108-80-5

cyanuric acid

A

trichloroisocyanuric acid
87-90-1

trichloroisocyanuric acid

B

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

C

chloro-isocyanuric acid

chloro-isocyanuric acid

Conditions
ConditionsYield
In water reactn. with single positive charged Cl;
In water reactn. with single positive charged Cl;
...Expand
chlorine isocyanate
13858-09-8

chlorine isocyanate

A

nitrogen trichloride
10025-85-1

nitrogen trichloride

B

carbon dioxide
124-38-9

carbon dioxide

C

trichloroisocyanuric acid
87-90-1

trichloroisocyanuric acid

D

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

E

1,3-dichloro-1,3-diazetidine-2,4-dione
24604-62-4

1,3-dichloro-1,3-diazetidine-2,4-dione

Conditions
ConditionsYield
slow react. above the melting point, fast at room temp., dichlorouretidindione formed by vac. sublimation (50.degrre.C, 0.1 Torr), di- and trichlocyanuric acid yielded by 48h sublimation of the residue at 95-160°C;
...Expand
1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

sodium O,O-diisopropyl phosphorodithioate

sodium O,O-diisopropyl phosphorodithioate

1,3-bis(diisopropoxyphosphinothioylthio)-s-triazine-2,4,6(1H,3H,5H)-trione

1,3-bis(diisopropoxyphosphinothioylthio)-s-triazine-2,4,6(1H,3H,5H)-trione

Conditions
ConditionsYield
In acetone82%
iodine
7553-56-2

iodine

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

A

cyanuric acid
108-80-5

cyanuric acid

B

triiodoisocyanuric acid
27694-85-5

triiodoisocyanuric acid

C

Iodine monochloride
7790-99-0

Iodine monochloride

Conditions
ConditionsYield
absence of moist, 24h, 180-230°C, every 30 min ICl removed,; removing of (HNCO)3: sublimation (220-230°C, 0.1 Torr), purity >99;A n/a
B 75.6%
C n/a
...Expand
1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

4-methyl-2-methoxy-1,3,2-dioxaphosphorinane
33892-95-4

4-methyl-2-methoxy-1,3,2-dioxaphosphorinane

1,3-Bis-(4-methyl-2-oxo-2λ5-[1,3,2]dioxaphosphinan-2-yl)-[1,3,5]triazinane-2,4,6-trione

1,3-Bis-(4-methyl-2-oxo-2λ5-[1,3,2]dioxaphosphinan-2-yl)-[1,3,5]triazinane-2,4,6-trione

Conditions
ConditionsYield
In benzene73%
1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

phosphorous acid trimethyl ester
121-45-9

phosphorous acid trimethyl ester

1,3-bis-(dimethoxyphosphinyl)-s-triazine-2,4,6(1H,3H,5H)-trione

1,3-bis-(dimethoxyphosphinyl)-s-triazine-2,4,6(1H,3H,5H)-trione

Conditions
ConditionsYield
In benzene72%
tri-n-propyl phosphite
923-99-9

tri-n-propyl phosphite

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

1,3-bis-(dipropyloxyphosphinyl)-s-triazine-2,4,6(1H,3H,5H)-trione

1,3-bis-(dipropyloxyphosphinyl)-s-triazine-2,4,6(1H,3H,5H)-trione

Conditions
ConditionsYield
In benzene70%
sodium diethylthiophosphate
5852-63-1

sodium diethylthiophosphate

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

bis(diethoxyphosphinothioyl)trisulfide
6926-73-4

bis(diethoxyphosphinothioyl)trisulfide

Conditions
ConditionsYield
In acetone40%
1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

isocyanuric acid
108-80-5

isocyanuric acid

Conditions
ConditionsYield
In water at 20℃; for 0.5h;
2,2,6,6-Tetramethyl-4-piperidone
826-36-8

2,2,6,6-Tetramethyl-4-piperidone

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

1-chloro-2,2,6,6-tetramethyl-4-piperidone
38951-83-6

1-chloro-2,2,6,6-tetramethyl-4-piperidone

Conditions
ConditionsYield
In water; toluene
1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

sodium dichloroisocyanurate dihydrate

sodium dichloroisocyanurate dihydrate

Conditions
ConditionsYield
With sodium hydroxide In methanol; water
With sodium hydroxide
1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

2,9-bis(trifluoromethyl)-4,7,11,14-tetrachloro-1,3,8,10-tetraazaperopyrene
1379763-81-1

2,9-bis(trifluoromethyl)-4,7,11,14-tetrachloro-1,3,8,10-tetraazaperopyrene

Conditions
ConditionsYield
In sulfuric acid55 % (80 mg, 0.13 mmol)
1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

2,9-bis(pentafluoroethyl)-4,7,11,14-tetrachloro-1,3,8,10-tetraazaperopyrene
1379763-82-2

2,9-bis(pentafluoroethyl)-4,7,11,14-tetrachloro-1,3,8,10-tetraazaperopyrene

Conditions
ConditionsYield
In sulfuric acid43 % (42 mg, 0.06 mmol)
1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

2,9-bis-(heptafluoropropyl)-4,7,11,14-tetrachloro-1,3,8,10-tetraazaperopyrene
1379763-83-3

2,9-bis-(heptafluoropropyl)-4,7,11,14-tetrachloro-1,3,8,10-tetraazaperopyrene

Conditions
ConditionsYield
In sulfuric acid66% (55 mg, 0.07 mmol)
1,3-dichloro-[1,3,5]triazinane-2,4,6-trione
2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

2,9-bis(nonafluorobutyl)-4,7,11,14-tetrachloro-1,3,8,10-tetraazaperopyrene
1379763-84-4

2,9-bis(nonafluorobutyl)-4,7,11,14-tetrachloro-1,3,8,10-tetraazaperopyrene

Conditions
ConditionsYield
In sulfuric acid40% (18 mg, 0.02 mmol)

1,3-Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione Consensus Reports

Reported in EPA TSCA Inventory.

1,3-Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione Standards and Recommendations

DOT Classification:  5.1; Label: Oxidizer

1,3-Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione Specification

The 1,3-Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione, with the CAS registry number 2782-57-2 and EINECS registry number 220-487-5, has the systematic name of 1,3-dichloro-1,3,5-triazinane-2,4,6-trione. It is a kind of white crystalline powder with an odor of chlorine, and the molecular formula of this chemical is C3HCl2N3O3. What's more, it is used as a dry bleach in household cleaning compounds and swimming pool disinfectants.

The physical properties of 1,3-Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione are as followings: (1)ACD/LogP: -0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.48; (4)ACD/LogD (pH 7.4): -2.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 60.93 Å2; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 35.31 cm3; (15)Molar Volume: 95.6 cm3; (16)Polarizability: 14×10-24cm3; (17)Surface Tension: 90.1 dyne/cm; (18)Density: 2.06 g/cm3.

Preparation: It can be prepared by the chlorination of sodium hydroxide and cyanuric acid (mol rate: 2:1) with the ph 6.5-8.5 in the temperatature of 5-10°C.

You should be cautious while dealing with this chemical. If contact with combustible material, it may cause fire. And if contact with acids, it will liberate toxic gas. It irritates to eyes, and respiratory system. And it is very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment Therefore, you had better take the following instructions: Keep container dry; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of fire and/or explosion do not breathe fumes; This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: ClN1C(=O)NC(=O)N(Cl)C1=O
(2)InChI: InChI=1/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)
(3)InChIKey: CEJLBZWIKQJOAT-UHFFFAOYAN

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo oral 400mg/kg (400mg/kg)   Monsanto Co. Toxicity Information. Vol. -, Pg. -, 1972.
human LDLo oral 3570mg/kg (3570mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 167, 1969.
rabbit LDLo oral 600mg/kg (600mg/kg)   Monsanto Co. Toxicity Information. Vol. -, Pg. -, 1972.
rat LD50 oral 1173mg/kg (1173mg/kg)   Personal Communication from J.V. Marhold, VUOS, 539-18, Pardubice, Czechoslavakia, Mar. 29, 1977Vol. 29MAR1977,

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