Chemical Properties of Symclosene (CAS 87-90-1)

InChI

InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11

InChI Key

YRIZYWQGELRKNT-UHFFFAOYSA-N

Formula

SMILES

O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl

Molecular Weight¹

232.41

CAS

87-90-1

Other Names

Trichloroisocyanuric acid
Trichlorocyanuric acid
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-
Trichloro-1,3,5-triazinetrione
s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-
ACL 85
Fi Clor 91
Fichlor 91
Isocyanuric chloride
Kyselina trichloisokyanurova
N,N',N''-Trichloroisocyanuric acid
Symclosen
Trichlorinated isocyanuric acid
Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione
Trichloroisocyanic acid
1,3,5-Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione
1,3,5-Trichloro-s-triazinetrione
1,3,5-Trichloro-2,4,6-trioxohexahydro-s-triazine
1,3,5-Trichloroisocyanuric acid
CBD 90
NA 2468
NSC-405124
UN 2468
Trichloro-s-triazinetrione
1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
1,3,5-Trichloro-S-triazine-2,4,6-trione
ACL 90 plus
CDB 90
Chloreal
Queschlor
Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-
Trichloroiminocyanuric acid
Neochlor 90

ω : Acentric Factor.
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
IE : Ionization energy (eV).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.6142		Relay (1.0) Calculated Property
Δ_fG°	-8.91	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	-247.67	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	72.26	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log₁₀WS	-2.50		Relay (1.0) Calculated Property
logP_oct/wat	-0.823		Crippen Calculated Property
McVol	113.640	ml/mol	McGowan Calculated Property
P_c	4128.54	kPa	Relay (1.0-beta) Calculated Property
T_boil	545.56	K	Relay (1.0) Calculated Property
T_c	840.73	K	Relay (1.0) Calculated Property
T_fus	508.40	K	Relay (1.0) Calculated Property
V_c	0.452	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

Potassium dichloroisocyanurate.

Dichlorocyanuric acid.

1,3,5-Triazine-2,4(1H,3H)-dione.

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimethyl-.

6-Amino-1,3,5-triazine-2,4(1H,3H)-dione.

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propenyl-.

1,3,5-Triazin-2(1H)-one, 4,6-diamino-.

1,3,5-Triphenyl-s-triazine-2,4,6(1H,3H,5H)-trione.

2-Amino-4-anilino-6-(chloromethyl)-s-triazine.

2,4(1H,3H)-Pyrimidinedione, 1,3,5-trimethyl-.

Uric acid.

Sebacic acid, but-3-enyl undecyl ester.

Sebacic acid, but-3-enyl heptyl ester.

Sebacic acid, but-3-enyl tridecyl ester.

Sebacic acid, but-3-enyl hexyl ester.

Find more compounds similar to Symclosene.

Sources

Cheméo Relay (1.0)
Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
Crippen Method
Crippen Method
McGowan Method
NIST Webbook

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