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| CAS No.: | 18708-70-8 |
|---|---|
| Name: | 2,4,6-TRICHLORONITROBENZENE |
| Article Data: | 13 |
| Molecular Structure: | |
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|
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| Formula: | C6H2Cl3NO2 |
| Molecular Weight: | 226.446 |
| Synonyms: | 1,3,5-Trichloro-2-nitrobenzene;2,4,6-Trichloro-1-nitrobenzene;2,4,6-Trichloronitrobenzene;NSC 10244; |
| EINECS: | 242-518-1 |
| Density: | 1.651 g/cm3 |
| Melting Point: | 70-72 °C |
| Boiling Point: | 303.2 °C at 760 mmHg |
| Flash Point: | 137.2 °C |
| Solubility: | methanol: 0.1 g/mL, clear |
| Appearance: | yellow solid |
| Hazard Symbols: |
 T
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| Risk Codes: | 23/24/25-33 |
| Safety: | 28-36/37/39-45 |
| PSA: | 45.82000 |
| LogP: | 4.07820 |
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- Total:33 Page 1 of 1 1
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Specification
The Benzene,1,3,5-trichloro-2-nitro-, with the CAS registry number 18708-70-8, is also known as 2-Nitro-1,3,5-trichlorobenzene. It belongs to the product categories of Fine Chemical & Intermediates; Nitro Compounds Volatiles/ Semivolatiles; Alpha Sort; Analytical Standards; Aromatics Chemical Class; Chemical Class; Chloro Analytical Standards; Halogenated; TP - TZ; T-ZAlphabetic; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. Its EINECS registry number is 242-518-1. This chemical's molecular formula is C6H2Cl3NO2 and molecular weight is 226.44. What's more, both its IUPAC name and systematic name are the same which is called 1,3,5-Trichloro-2-nitrobenzene. It is yellow solid and can be used for synthetic medicine, dye.
Physical properties about Benzene,1,3,5-trichloro-2-nitro- are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 230.27; (6)ACD/BCF (pH 7.4): 230.27; (7)ACD/KOC (pH 5.5): 1708.04 ; (8)ACD/KOC (pH 7.4): 1708.04; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 47.48 cm3; (15)Molar Volume: 137.1 cm3; (16)Surface Tension: 53.2 dyne/cm; (17)Density: 1.651 g/cm3; (18)Flash Point: 137.2 °C; (19)Enthalpy of Vaporization: 52.18 kJ/mol; (20)Boiling Point: 303.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0017 mmHg at 25 °C; (22)Melting Point: 70-72 °C.
Preparation of Benzene,1,3,5-trichloro-2-nitro-: this chemical can be prepared by 2,4,6-Trichloro-aniline. This reaction needs reagents Trifluoro-peroxyacetic acid and Dichloromethane.
Uses of Benzene,1,3,5-trichloro-2-nitro-: it is used to produce other chemicals. For example, it is used to produce 2,4,6-Trichloro-phenyl isocyanate. The reaction occurs with solvent 1,2-Dichloro-benzene and catalyzers (Bu4N), VOCl2·2THF at temperature of 120 °C. The yield is 30 %.
When you are dealing with this chemical, you should be very careful. This chemical can cause damage to health at low levels and has danger of cumulative effects. It is toxic by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl
(2) InChI: InChI=1/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
(3) InChIKey: AEBJDOTVYMITIA-UHFFFAOYAF