CAS No.50592-31-9,4-BROMOFLUOROBENZENE-D4 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50592-31-9
Name:	4-BROMOFLUOROBENZENE-D4
Article Data:	4

Formula:	C₆BrD₄F
Molecular Weight:	178.968
Synonyms:	4-Bromofluorobenzene-d₄;
Density:	1.63 g/cm³
Melting Point:	-16 °C (lit.)
Boiling Point:	154.5 °C at 760 mmHg
Flash Point:	49.3 °C
Hazard Symbols:	Xn
Risk Codes:	20-36/37/38
Safety:	26
PSA:	0.00000
LogP:	2.58820

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Specification

The Benzene-1, 2, 4, 5-d₄, 3-bromo-6-fluoro-, with the CAS registry number 50592-31-9, is also known as 4-Bromofluorobenzene-d₄. This chemical's molecular formula is C₆BrD₄F and molecular weight is 179.02. What's more, its systematic name is 1-Bromo-4-fluoro(²H₄)benzene.

Physical properties about Benzene-1, 2, 4, 5-d₄, 3-bromo-6-fluoro- are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 107.65; (6)ACD/BCF (pH 7.4): 107.65; (7)ACD/KOC (pH 5.5): 991.1; (8)ACD/KOC (pH 7.4): 991.1; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 33.93 cm³; (15)Molar Volume: 109.8 cm³; (16)Polarizability: 13.45×10^-24 cm³; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 1.63 g/cm³; (19)Flash Point: 49.3 °C; (20)Enthalpy of Vaporization: 37.52 kJ/mol; (21)Boiling Point: 154.5 °C at 760 mmHg; (22)Vapour Pressure: 4.07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation. In case of 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: [2H]c1c(F)c([2H])c([2H])c(Br)c1[2H]
(2) InChI: InChI=1/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H/i1D,2D,3D,4D
(3) InChIKey: AITNMTXHTIIIBB-RHQRLBAQEG