CAS No.656-64-4,3-Bromo-4-fluoroaniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	656-64-4
Name:	3-Bromo-4-fluoroaniline
Article Data:	7

Formula:	C₆H₅BrFN
Molecular Weight:	190.015
Synonyms:	Aniline,3-bromo-4-fluoro- (6CI,7CI,8CI);3-Bromo-4-fluorophenylamine;
Density:	1.694 g/cm³
Melting Point:	34-36 °C
Boiling Point:	248.8 °C at 760 mmHg
Flash Point:	104.3 °C
Solubility:	Insoluble in water.
Appearance:	Colorless liquid
Hazard Symbols:	T, Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
Transport Information:	UN2811
PSA:	26.02000
LogP:	2.75160

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Specification

The IUPAC name of this chemical is 3-bromo-4-fluoroaniline. With the CAS registry number 656-64-4, it is also named as Benzenamine, 3-bromo-4-fluoro-. The product's categories are Miscellaneous; Anilines, Amides & Amines; Bromine Compounds; Fluorine Compounds; Aniline Series. It is colorless liquid which is used as intermediate of pharmaceutical and agricultural chemical. Additioanlly, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 28.65; (6)ACD/BCF (pH 7.4): 28.99; (7)ACD/KOC (pH 5.5): 382.95; (8)ACD/KOC (pH 7.4): 387.51; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.596; (13)Molar Refractivity: 38.17 cm³; (14)Molar Volume: 112.1 cm³; (15)Polarizability: 15.13×10^-24 cm³; (16)Surface Tension: 45.2 dyne/cm; (17)Enthalpy of Vaporization: 48.6 kJ/mol; (18)Vapour Pressure: 0.0238 mmHg at 25°C; (19)Exact Mass: 188.95894; (20)MonoIsotopic Mass: 188.95894; (21)Topological Polar Surface Area: 26; (22)Heavy Atom Count: 9; (23)Complexity: 99.1.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:Fc1ccc(N)cc1Br
2. InChI:InChI=1/C6H5BrFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
3. InChIKey:KOWPUNQBGWIERF-UHFFFAOYAM