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1,3,5-Triazine

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Name

1,3,5-Triazine

EINECS 206-028-1
CAS No. 290-87-9 Density 1.173 g/cm3
Solubility methanol: 0.1 g/mL, clear Melting Point 77-83 °C (dec.)(lit.)
Formula C3H3N3 Boiling Point 114 °C at 760 mmHg
Molecular Weight 81.08 Flash Point 31.122 °C
Transport Information UN 2928 Appearance White crystalline solid
Safety 22-24/25-39-26-45-36/37/39-27 Risk Codes 22-37/38-41-34
Molecular Structure Molecular Structure of 290-87-9 (1,3,5-Triazine) Hazard Symbols HarmfulXn; CorrosiveC
Synonyms

s-Triazine(6CI,8CI);Cyanidine;NSC 56189;Vedita 250;sym-Triazine;s-triazine;

 

1,3,5-Triazine Specification

The 1,3,5-Triazine, with the CAS registry number 290-87-9 and EINECS registry number 206-028-1, has the systematic name of s-Triazine. It is a kind of moisture sensitive chemical. And the molecular formula of this chemical is C3H3N3. In addition, 1,3,5-Triazineand and its derivatives are useful in a variety of applications.

The physical properties of 1,3,5-Triazine are as following: (1)ACD/LogP: -0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.55; (8)ACD/KOC (pH 7.4): 9.55; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.67 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 20.52 cm3; (15)Molar Volume: 69.1 cm3; (16)Polarizability: 8.13×10-24cm3; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 31.1 °C; (20)Enthalpy of Vaporization: 33.79 kJ/mol; (21)Boiling Point: 114 °C at 760 mmHg; (22)Vapour Pressure: 24 mmHg at 25°C.

Uses of 1,3,5-Triazine: It is used as the equivalent of hydrogen cyanide (HCN). Being a solid (vs a gas for HCN), triazine is sometimes easier to handle in the laboratory. One application is in the Gattermann reaction, used to attach the formyl group to aromatic substrates. In addition, it is a common reagent, and readily forms derivatives, which are used as pharmaceutical products, as well as herbicides, such as atrazine.

You should be cautious while dealing with this chemical. It irritates respiratory system and skin, and may also cause burns. It is also harmful if swallowed. In addition, it has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe dust and then try to avoid contacting with skin and eyes; Take off immediately all contaminated clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cncnc1
(2)InChI: InChI=1/C3H3N3/c1-4-2-6-3-5-1/h1-3H
(3)InChIKey: JIHQDMXYYFUGFV-UHFFFAOYAG

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 100mg/kg (100mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
quail LD50 oral 237mg/kg (237mg/kg)   Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.

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