CAS No.398-21-0,4-Bromo-4'-fluorobiphenyl Suppliers,MSDS download

Products Categories

Pharmaceutical (26)
Organic Chemicals (17)
Others (7)
Reagent (3)
Basic Inorganic Chemicals (2)
Materials (2)

Basic Information

Molecular Structure:
CAS No.:	398-21-0
Name:	4-Bromo-4'-fluorobiphenyl
Article Data:	15

Formula:	C₁₂H₈BrF
Molecular Weight:	251.098
Synonyms:	Biphenyl,4-bromo-4'-fluoro- (7CI,8CI);4-Bromo-4'-fluorobiphenyl;4-Fluoro-4'-bromobiphenyl;NSC 91565;
EINECS:	206-909-0
Density:	1.433 g/cm³
Melting Point:	92.5-97.5 °C(lit.)
Boiling Point:	307.6 °C at 760 mmHg
Flash Point:	143.7 °C
Appearance:	white crystalline powder
Hazard Symbols:	Xi, N
Risk Codes:	20/21/22-50/53-41
Safety:	22-36/37/39-61-60-39-26
Transport Information:	UN 3152 9/PG 2
PSA:	0.00000
LogP:	4.25520

Total:52 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 398-21-0

Specification

The IUPAC name of 1,1'-Biphenyl,4-bromo-4'-fluoro- is 1-bromo-4-(4-fluorophenyl)benzene. With the CAS registry number 398-21-0, it is also named as 4-Bromo-4'-fluoro-1,1'-biphenyl. The product'a categories are Aryl; C9 to C12; Halogenated Hydrocarbons. In adittion, the formula is C₁₂H₈BrF and molecular weight is 251.10.

The other characteristics of 1,1'-Biphenyl,4-bromo-4'-fluoro- can be summarized as: (1)ACD/LogP: 4.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.81; (4)ACD/LogD (pH 7.4): 4.81; (5)ACD/BCF (pH 5.5): 2681.09; (6)ACD/BCF (pH 7.4): 2681.09; (7)ACD/KOC (pH 5.5): 9898.77; (8)ACD/KOC (pH 7.4): 9898.77; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 58.52 cm³; (14)Molar Volume: 175.1 cm³; (15)Polarizability: 23.2×10^-24 cm³; (16)Surface Tension: 39.2 dyne/cm; (17)Enthalpy of Vaporization: 52.64 kJ/mol; (18)Vapour Pressure: 0.0013 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 249.979341; (21)MonoIsotopic Mass: 249.979341; (22)Heavy Atom Count: 14; (23)Complexity: 167.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. So people should not breathe dust. 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. This material and its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc2ccc(c1ccc(F)cc1)cc2
2. InChI:InChI=1/C12H8BrF/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
3. InChIKey:XFGPSHWWPIFPNL-UHFFFAOYAO