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| CAS No.: | 6190-65-4 |
|---|---|
| Name: | ATRAZINE-DESETHYL |
| Article Data: | 3 |
| Molecular Structure: | |
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|
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| Formula: | C6H10ClN5 |
| Molecular Weight: | 187.632 |
| Synonyms: | 6-Chloro-N-(propan-2-yl)-1,3,5-triazine-2,4-diamine;6-Chlor-N-isopropyl-1,3,5-triazin-2,4-diamin;Atrazine metabolite;Propazine metabolite;(4-Amino-6-chloro(1,3,5-triazin-2-yl))(methylethyl)amine;2-Amino-4-(isopropylamino)-6-chloro-1,3,5-triazine;2-Amino-4-chloro-6-isopropylamino-1,3,5-triazine;CCRIS 3555;CCRIS 3555; |
| EINECS: | 200-659-6 |
| Density: | 1.377 g/cm3 |
| Melting Point: | 134-136 °C |
| Boiling Point: | 389.6 °C at 760 mmHg |
| Flash Point: | 189.4 °C |
| Solubility: | 375.3mg/L(2 oC) |
| Appearance: | White powder |
| Hazard Symbols: |
 Xi, F, T, Xn
|
| Risk Codes: | 11-20/22-40-43-39/23/24/25-23/24/25-36 |
| Safety: | 16-26-36-45-36/37 |
| Transport Information: | UN 1993 |
| PSA: | 76.72000 |
| LogP: | 1.58170 |
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Specification
The 1,3,5-Triazine-2,4-diamine,6-chloro-N2-(1-methylethyl)- with CAS registry number of 6190-65-4 is also known as Desethylaltrazine. The IUPAC name is 6-Chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine. It belongs to product categories of Agro Products; Inhibitors; Miscellaneous Reagents; A; A-BAlphabetic; Alpha sort; AR to AZEnvironmental Standards; Herbicides; MetabolitesPesticides&Metabolites; Pesticides&Metabolites; Triazines. In addition, the formula is C6H10ClN5 and the molecular weight is 187.63. This chemical is a white powder and it also can be used to inhibit the growth of plants.
Physical properties about 1,3,5-Triazine-2,4-diamine,6-chloro-N2-(1-methylethyl)- are: (1)ACD/LogP: 1.50; (2)ACD/LogD (pH 5.5): 1.5; (3)ACD/LogD (pH 7.4): 1.5; (4)ACD/BCF (pH 5.5): 8.17; (5)ACD/BCF (pH 7.4): 8.18; (6)ACD/KOC (pH 5.5): 156.49; (7)ACD/KOC (pH 7.4): 156.68; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.63; (12)Molar Refractivity: 48.49 cm3; (13)Molar Volume: 136.1 cm3; (14)Surface Tension: 65.3 dyne/cm; (15)Density: 1.377 g/cm3; (16)Flash Point: 189.4 °C; (17)Enthalpy of Vaporization: 63.9 kJ/mol; (18)Boiling Point: 389.6 °C at 760 mmHg; (19)Vapour Pressure: 2.82E-06 mmHg at 25 °C.
Uses of 1,3,5-Triazine-2,4-diamine,6-chloro-N2-(1-methylethyl)-: it is used to produce 2-chloro-4-ethylimino-6-isopropylamino-s-triazine by condensation with acetaldehyde for 24 hours. The yield is about 90%.
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When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and is highly flammable. Though there is limited evidence of a carcinogenic effect, it is harmful by inhalation or swallowed and it may cause sensitisation by skin contact. What's more, it has danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing and gloves. Keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C)NC1=NC(=NC(=N1)N)Cl
2. InChI: InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
3. InChIKey: DFWFIQKMSFGDCQ-UHFFFAOYSA-N