CAS No.104222-34-6,5-CHLORO-4-FLUORO-2-NITROANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104222-34-6
Name:	5-CHLORO-4-FLUORO-2-NITROANILINE
Article Data:	5

Formula:	C₆H₄ClFN₂O₂
Molecular Weight:	190.561
Synonyms:	2-Nitro-4-fluoro-5-chloroaniline;3-Chloro-4-fluoro-6-nitroaniline;
EINECS:	-0
Density:	1.592 g/cm³
Melting Point:	142-145 °C
Boiling Point:	336.085 °C at 760 mmHg
Flash Point:	157.059 °C
Appearance:	orange crystalline powder
Hazard Symbols:	Xn; T
Risk Codes:	36/37/38-20/21/22
Safety:	36/37/39-26
Transport Information:	UN 2811
PSA:	71.84000
LogP:	3.07390

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Specification

The Benzenamine,5-chloro-4-fluoro-2-nitro-, with CAS registry number 104222-34-6, has the systematic name of 5-chloro-4-fluoro-2-nitroaniline. This chemical is a kind of orange crystalline powder. And this chemical should be stored in cool, dry place. And the chemical formula of this chemical is C₆H₄ClFN₂O₂.

Physical properties of Benzenamine,5-chloro-4-fluoro-2-nitro-: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.99; (5)ACD/BCF (pH 5.5): 109.66; (6)ACD/BCF (pH 7.4): 109.66; (7)ACD/KOC (pH 5.5): 1004.34; (8)ACD/KOC (pH 7.4): 1004.34; (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: 1.617; (14)Molar Refractivity: 41.92 cm³; (15)Molar Volume: 119.7 cm³; (16)Polarizability: 16.61×10^-24cm³; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.591 g/cm³; (19)Flash Point: 157.1 °C; (20)Enthalpy of Vaporization: 57.92 kJ/mol; (21)Boiling Point: 336.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000115 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-chloro-4-fluoro-2-nitro-acηnilide. This reaction will need reagent conc. HCl and solvent ethanol. The reaction time is 3 hour(s). The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,5-chloro-4-fluoro-2-nitro- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc([N+]([O-])=O)c(cc1Cl)N
(2)InChI: InChI=1/C6H4ClFN2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
(3)InChIKey: VRJKEIWZSOHDOH-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H4ClFN2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
(5)Std. InChIKey: VRJKEIWZSOHDOH-UHFFFAOYSA-N