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4-Chloro-5-fluorobenzene-1,2-diamine

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Name

4-Chloro-5-fluorobenzene-1,2-diamine

EINECS N/A
CAS No. 139512-70-2 Density 1.457 g/cm3
PSA 52.04000 LogP 2.80590
Solubility N/A Melting Point 110-112 °C
Formula C6H6ClFN2 Boiling Point 316.2 °C at 760mmHg
Molecular Weight 160.578 Flash Point 145 °C
Transport Information N/A Appearance grey to light brown powder
Safety 36/37/39-26 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 139512-70-2 (4-CHLORO-5-FLUORO-O-PHENYLENEDIAMINE) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

1,2-Diamino-4-chloro-5-fluorobenzene;4-Chloro-5-fluoro-1,2-phenylenediamine;4-Chloro-5-fluorobenzene-1,2-diamine;4-Fluoro-5-chloro-o-phenylenediamine;

Article Data 3

4-Chloro-5-fluorobenzene-1,2-diamine Specification

This chemical is called 1,2-Benzenediamine,4-chloro-5-fluoro-, and its systematic name is 4-chloro-5-fluorobenzene-1,2-diamine. With the molecular formula of C6H6ClFN2, its molecular weight is 160.58. The CAS registry number of this chemical is 139512-70-2.

Other characteristics of the 1,2-Benzenediamine,4-chloro-5-fluoro- can be summarised as followings: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.638; (8)Molar Refractivity: 39.61 cm3; (9)Molar Volume: 110.1 cm3; (10)Polarizability: 15.7×10-24cm3; (11)Surface Tension: 56.4 dyne/cm; (12)Density: 1.457 g/cm3; (13)Flash Point: 145 °C; (14)Enthalpy of Vaporization: 55.75 kJ/mol; (15)Boiling Point: 316.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000417 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting 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)c(cc1Cl)N
2.InChI: InChI=1/C6H6ClFN2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
3.InChIKey: BSMPRJISGCTCDC-UHFFFAOYAF

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