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CAS No.: | 769-11-9 |
---|---|
Name: | 2-CHLORO-6-NITROANILINE |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C6H5ClN2O2 |
Molecular Weight: | 172.571 |
Synonyms: | Aniline,2-chloro-6-nitro- (7CI,8CI);2-Chloro-6-nitroaniline;6-Chloro-2-nitroaniline;NSC 37398; |
EINECS: | 212-204-9 |
Density: | 1.494 g/cm3 |
Melting Point: | 74-75 °C |
Boiling Point: | 284.3 °C at 760 mmHg |
Flash Point: | 125.8 °C |
Hazard Symbols: | Xi |
PSA: | 71.84000 |
LogP: | 2.93480 |
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The Benzenamine,2-chloro-6-nitro-, with CAS registry number 769-11-9, has the systematic name of 2-chloro-6-nitroaniline. Besides this, it is also called Aniline, 2-chloro-6-nitro-. And the chemical formula of this chemical is C6H5ClN2O2. What's more, its EINECS is 212-204-9.
Physical properties of Benzenamine,2-chloro-6-nitro-: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 93.8; (6)ACD/BCF (pH 7.4): 93.8; (7)ACD/KOC (pH 5.5): 898.06; (8)ACD/KOC (pH 7.4): 898.06; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 41.92 cm3; (15)Molar Volume: 115.5 cm3; (16)Polarizability: 16.62×10-24cm3; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.494 g/cm3; (19)Flash Point: 125.8 °C; (20)Enthalpy of Vaporization: 52.33 kJ/mol; (21)Boiling Point: 284.3 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,2-dichloro-3-nitro-benzene. This reaction will need reagents ammonia, alcohol. The reaction temperature is 180 ℃.
Uses of Benzenamine,2-chloro-6-nitro-: it can be used to produce 1-chloro-2-iodo-3-nitro-benzene. This reaction will need reagent aqueous H2SO4.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc([N+]([O-])=O)c1N
(2)InChI: InChI=1/C6H5ClN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2
(3)InChIKey: VOTXWUCYIOPNNR-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2
(5)Std. InChIKey: VOTXWUCYIOPNNR-UHFFFAOYSA-N