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4-Bromomethyl-2-cyanobiphenyl

CAS No.114772-54-2
Chemical Name:4-Bromomethyl-2-cyanobiphenyl
CBNumber:CB2685168
Molecular Formula:C14H10BrN
Formula Weight:272.14
MOL File:114772-54-2.mol

4-Bromomethyl-2-cyanobiphenyl Property

Melting point 125-128 °C (lit.)
Boiling point 413.2±38.0 °C(Predicted)
Density 1.43±0.1 g/cm3(Predicted)
vapor pressure 0.1-0.2Pa at 20-25℃
storage temp. Keep in dark place,Sealed in dry,Room Temperature
solubility Acetonitrile (Slightly), Chloroform (Slightly)
Water Solubility Insoluble in water
form powder to crystal
color White to Almost white
InChI InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2
InChIKey LFFIEVAMVPCZNA-UHFFFAOYSA-N
SMILES C1(C2=CC=C(CBr)C=C2)=CC=CC=C1C#N
LogP 3.2
CAS DataBase Reference 114772-54-2(CAS DataBase Reference)
FDA UNII UI5JR3K10F
UNSPSC Code 12352103
NACRES NA.23

Safety

Hazard Codes :Xi,Xn,N
Risk Statements :20/21/22-36/37/38-50/53-43
Safety Statements :26-36/37-36/37/39-61-60
RIDADR :3439
WGK Germany :3
Hazard Note :Irritant
HazardClass :6.1
HS Code :29269090

NFPA 704:

	1
2		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H317-H410
Precautionary statements P261-P272-P273-P280-P302+P352-P333+P313

4-Bromomethyl-2-cyanobiphenyl Price More Price(7)

Brand: Sigma-Aldrich(India)
Product number: 535494
Product name : 4′-Bromomethyl-2-biphenylcarbonitrile
Purity: 97%
Packaging: 5G
Price: ₹8789.9
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: 535494
Product name : 4′-Bromomethyl-2-biphenylcarbonitrile
Purity: 97%
Packaging: 25G
Price: ₹29227.5
Updated: 2022/06/14
Buy: Buy

Brand: ALFA India
Product number: ALF-H55394-14
Product name : 4'-(Bromomethyl)biphenyl-2-carbonitrile, 98%
Purity:
Packaging: 25g
Price: ₹13537
Updated: 2022/05/26
Buy: Buy

Brand: TCI Chemicals (India)
Product number: B1806
Product name : 4'-Bromomethyl-2-cyanobiphenyl
Purity: min. 98.0 %
Packaging: 5G
Price: ₹3600
Updated: 2022/05/26
Buy: Buy

Brand: ALFA India
Product number: ALF-H55394-06
Product name : 4'-(Bromomethyl)biphenyl-2-carbonitrile, 98%
Purity:
Packaging: 5g
Price: ₹3673
Updated: 2022/05/26
Buy: Buy

4-Bromomethyl-2-cyanobiphenyl Chemical Properties,Usage,Production

Description 4-Bromomethyl-2-cyanobiphenyl is an important pharmaceutical intermediate and organic synthetic material used in the preparation of drugs of the sartan class such as azilsartan ester and temisartan. It is also used in the synthesis of other pyrazolines and related derivatives. In addition, recently reported studies on the role of 4-Bromomethyl-2-cyanobiphenyl in the determination of potential genotoxic impurities in temesartan using ESI-MS/MS technique and thermodynamic studies in different solvents^[1-2].
Chemical Properties 4-Bromomethyl-2-cyanobiphenyl is Cream powder
Uses 4-Bromomethyl-2-cyanobiphenyl used in protein-binding studies of quinoxaline angiotensin II receptor antagonists.
Synthesis 4-Bromomethyl-2-cyanobiphenyl is synthesised using 2-cyano-4-methylbiphenyl as a raw material by chemical reaction. The specific synthesis steps are as follows:
A method for preparing dibromohydantoin-based normal temperature bromosartan biphenyl. Dissolve 10g 2-cyano-4-methylbiphenyl in 30mL dichloromethane and put it into syringe A tube; add 9g dibromo Hydantoin was dissolved in 30 mL of dichloromethane and put into the syringe B tube. Install the two syringes A and B on the flow syringe pump and assemble them. Set the flow rate of the two tubes A and B to 1.5 mL/min. Turn on the constant temperature water bath device, heat to 50°C, keep the temperature, turn on 4000K LED light with 475nm light for 30 minutes, and turn on the flow reactor at the same time. After the reaction is completed, add 15g of sodium bisulfite to the receiving product to quench, separate the liquids, remove the solvent by rotary evaporation of the organic phase, add isopropyl ether to recrystallize, filter with suction, and place the filter cake in an oven to obtain a pure product. The product 4-Bromomethyl-2-cyanobiphenyl has a purity of 90% and a yield of 94%.
References [1] MANIKANTH REDDY YARALA; Sowjanya G. Determination of Potential Genotoxic Impurities (Orthophenylene Diamine Dihydrochloride), 4'-Bromomethyl-2-Cyanobiphenyl, 4'(Dibromomethyl)[1,1'-Biphenyl]-2-Carbonitrile in Telmisartan by ESI-MS/MS.[J]. Journal of chromatographic science, 2023. DOI:10.1093/chromsci/bmab139.
[2] JINGXIANG YANG . Thermodynamics of 4’-bromomethyl-2-cyanobiphenyl in different solvents[J]. Journal of Chemical Thermodynamics, 2015. DOI:10.1016/j.jct.2014.12.002.