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CAS No.: | 6575-05-9 |
---|---|
Name: | 2,4,6-Trichlorobenzonitrile |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C7H2Cl3N |
Molecular Weight: | 206.459 |
Synonyms: | 2,4,6-Trichlorobenzonitrile; |
Density: | 1.54 g/cm3 |
Melting Point: | 80-82 °C |
Boiling Point: | 303.1 °C at 760 mmHg |
Flash Point: | 136.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39-36 |
PSA: | 23.79000 |
LogP: | 3.51848 |
1,3,5-trichloro-2-(chloromethyl)benzene
2,4,6-Trichlorobenzonitrile
Conditions | Yield |
---|---|
With ammonia at 638℃; for 8h; Reagent/catalyst; | 94.6% |
Conditions | Yield |
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With tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl-formamide at 85℃; | 84% |
2,4,6-trichloro-benzaldehyde-oxime
2,4,6-Trichlorobenzonitrile
Conditions | Yield |
---|---|
With melamine-formaldehyde supported H2SO4 for 0.0666667h; Microwave irradiation; | 80% |
2,4,6-trichloro-benzoic acid amide
2,4,6-Trichlorobenzonitrile
Conditions | Yield |
---|---|
With aluminium trichloride; sodium chloride |
Conditions | Yield |
---|---|
With hydrogenchloride Behandlung der Diazoniumchloridloesung mit Kaliumkupfercyanuerloesung; |
2,4,6-Trichlorobenzonitrile
2,4,6-trichloro-benzenediazonium; chloride
2,4,6-Trichlorobenzonitrile
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: CHCl3; chlorine 2: hydrochloric acid / Behandlung der Diazoniumchloridloesung mit Kaliumkupfercyanuerloesung View Scheme |
2,4,6-Trichlorobenzonitrile
2,4,6-trichlorobenzaldehyde
Conditions | Yield |
---|---|
With formic acid; nickel-aluminum alloy; water at 100℃; for 4h; | 93% |
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The 2,4,6-Trichlorobenzonitrile, with the CAS registry number 6575-05-9, is also known as 2,4,6-Trichlorobenzonitrile, 98% and Benzonitrile, 2,4,6-trichloro-. It belongs to the product categories of Benzene Series; Nitrile. This chemical's molecular formula is C7H2Cl3N and formula weight is 206.46. What's more, both its IUPAC name and systematic name are the same which is called 2,4,6-Trichlorobenzonitrile.
Physical properties about this chemical are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 208.94; (6)ACD/BCF (pH 7.4): 208.94; (7)ACD/KOC (pH 5.5): 1593.25; (8)ACD/KOC (pH 7.4): 1593.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 45.8 cm3; (15)Molar Volume: 133.6 cm3; (16)Surface Tension: 55.2 dyne/cm; (17)Density: 1.54 g/cm3; (18)Flash Point: 136.4 °C; (19)Enthalpy of Vaporization: 54.33 kJ/mol; (20)Melting Point: 80-82°C; (21)Boiling Point: 303.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000951 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and it irritates to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1Cl)C#N)Cl)Cl
(2)InChI: InChI=1S/C7H2Cl3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
(3)InChIKey: PGODHCIOIPODFE-UHFFFAOYSA-N