CAS No.2782-57-2,DICHLOROISOCYANURIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2782-57-2
Name:	DICHLOROISOCYANURIC ACID
Article Data:	10

Formula:	C₃HCl₂N₃O₃
Molecular Weight:	197.965
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;
EINECS:	220-487-5
Density:	2.06 g/cm³
Melting Point:	226.4-226.7 °C
Boiling Point:	306.7°C at 760 mmHg
Flash Point:	139.3°C
Appearance:	white crystalline powder
Hazard Symbols:	O; N; Xi
Risk Codes:	8-22-31-36/37-50/53
Safety:	8-26-41-60-61
Transport Information:	UN 2465
PSA:	76.86000
LogP:	-1.29790

Synthetic route

: 108-80-5
cyanuric acid

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

Conditions

Conditions	Yield
With hypochlorous anhydride In water at 15 - 25℃; for 6h; pH=2; Temperature; Large scale;	96%

: 87-90-1
trichloroisocyanuric acid

A: 108-80-5
cyanuric acid

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

C: chloro-isocyanuric acid

Conditions

Conditions	Yield
With perchloric acid; water; acetic acid at 35℃; Mechanism; Thermodynamic data; Rate constant; further temperatures: 40-40 deg C; further reagent: RuCl3, KCl;

...Expand

: 87-90-1
trichloroisocyanuric acid

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

B HOCl: HOCl

Conditions

Conditions	Yield
With water In acetic acid at 35℃; Rate constant; Mechanism;

: 108-80-5
cyanuric acid

A: 87-90-1
trichloroisocyanuric acid

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

C: chloro-isocyanuric acid

Conditions

Conditions	Yield
In water reactn. with single positive charged Cl;
In water reactn. with single positive charged Cl;

...Expand

: 13858-09-8
chlorine isocyanate

A: 10025-85-1
nitrogen trichloride

B: 124-38-9
carbon dioxide

C: 87-90-1
trichloroisocyanuric acid

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

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

Conditions

Conditions	Yield
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

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

: sodium O,O-diisopropyl phosphorodithioate

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

Conditions

Conditions	Yield
In acetone	82%

: 7553-56-2
iodine

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

A: 108-80-5
cyanuric acid

B: 27694-85-5
triiodoisocyanuric acid

C: 7790-99-0
Iodine monochloride

Conditions

Conditions	Yield
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

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

: 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

Conditions

Conditions	Yield
In benzene	73%

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

: 121-45-9
phosphorous acid trimethyl ester

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

Conditions

Conditions	Yield
In benzene	72%

: 923-99-9
tri-n-propyl phosphite

: 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

Conditions

Conditions	Yield
In benzene	70%

Total:31 Page 1 of 1 1

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification: 5.1; Label: Oxidizer

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,