1,2-Benzenediamine,4-bromo-5-fluoro- supplier

Name
4-BROMO-5-FLUORO-1,2-PHENYLENEDIAMINE 98
EINECS
CAS No. 153505-37-4
Article Data6
CAS DataBase
Density 1.792 g/cm³
Solubility
Melting Point
Formula C₆H₆BrFN₂
Boiling Point 297 °C at 760 mmHg
Molecular Weight 205.029
Flash Point 133.4 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Bromo-5-fluoro-1,2-benzenediamine;
PSA 52.04000
LogP 2.91500

1,2-Benzenediamine,4-bromo-5-fluoro- Specification

This chemical is called 1,2-Benzenediamine,4-bromo-5-fluoro-, and its systematic name is 4-bromo-5-fluorobenzene-1,2-diamine. With the molecular formula of C₆H₆BrFN₂, its molecular weight is 205.0294. The CAS registry number of this chemical is 153505-37-4.

Other characteristics of the 1,2-Benzenediamine,4-bromo-5-fluoro- can be summarised as followings: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 22.44; (6)ACD/BCF (pH 7.4): 22.56; (7)ACD/KOC (pH 5.5): 322.11; (8)ACD/KOC (pH 7.4): 323.79; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.04 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 42.4 cm³; (15)Molar Volume: 114.3 cm³; (16)Polarizability: 16.81×10^-24cm³; (17)Surface Tension: 58.6 dyne/cm; (18)Density: 1.792 g/cm³; (19)Flash Point: 133.4 °C; (20)Enthalpy of Vaporization: 53.68 kJ/mol; (21)Boiling Point: 297 °C at 760 mmHg; (22)Vapour Pressure: 0.00139 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Nc1cc(F)c(Br)cc1N
2.InChI: InChI=1/C6H6BrFN2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
3.InChIKey:NDXWAQNAHFBGML-UHFFFAOYA

Product Name

4-BROMO-5-FLUORO-1,2-PHENYLENEDIAMINE 98

1,2-Benzenediamine,4-bromo-5-fluoro- Specification

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