2,5-Dibromobenzotrifluoride - CAS 7657-09-2

Name: 2,5-Dibromobenzotrifluoride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035619
Product Name:	2,5-Dibromobenzotrifluoride
CAS:	7657-09-2
Synonyms:	Benzene, 1,4-dibromo-2-(trifluoromethyl)-; Toluene, 2,5-dibromo-α,α,α-trifluoro-; 2,5-Dibromo(trifluoromethyl)benzene; 2,5-Dibromo-1-(trifluoromethyl)benzene; 2,5-Dibromo-α,α,α-trifluorotoluene; NSC 88275

Technical Data

IUPAC Name:	1,4-dibromo-2-(trifluoromethyl)benzene
Description:	2,5-Dibromobenzotrifluoride (CAS# 7657-09-2) can be used to prepare for use as anti-cancer agents. It can also be used as a novel anhydride compound to prepare polyamic acid and polyimide.
Molecular Weight:	303.90
Molecular Formula:	C7H3Br2F3
Canonical SMILES:	C1=CC(=C(C=C1Br)C(F)(F)F)Br
InChI:	InChI=1S/C7H3Br2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChI Key:	VWKFJAOCLPPQGR-UHFFFAOYSA-N
Boiling Point:	206-207°C
Melting Point:	49-50°C
Purity:	≥95%
Density:	1.956±0.06 g/cm3
Solubility:	Soluble in Methanol
Appearance:	White to light yellow powder to lump
Storage:	Store at RT
MDL:	MFCD00013554
LogP:	4.23040

GHS Hazard Statement:	H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-109880065-B	Conjugated polymer containing trifluoromethyl as well as preparation method and application thereof	20190226
WO-2020157199-A1	Annulated dihydropyridazinone compounds as anti-cancer compounds	20190201
WO-2016063300-A1	Process for the preparation of substituted benzotrihalide	20141020
CA-2872948-A1	Alpha-carbolines for the treatment of cancer	20120511
CN-104540823-B	Alpha-carbolines for the treatment of cancer	20120511

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	303.85331
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	301.85536
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2