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2-Chloro-5-iodobenzotrifluoride

2-Chloro-5-iodobenzotrifluoride - CAS 260355-20-2

Catalog:	BB019112
Product Name:	2-Chloro-5-iodobenzotrifluoride
CAS:	260355-20-2
Synonyms:	1-chloro-4-iodo-2-(trifluoromethyl)benzene; 1-chloro-4-iodo-2-(trifluoromethyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	1-chloro-4-iodo-2-(trifluoromethyl)benzene
Description:	2-Chloro-5-iodobenzotrifluoride (CAS# 260355-20-2) is a useful research chemical.
Molecular Weight:	306.45
Molecular Formula:	C7H3ClF3I
Canonical SMILES:	C1=CC(=C(C=C1I)C(F)(F)F)Cl
InChI:	InChI=1S/C7H3ClF3I/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H
InChI Key:	MCIFWVOVVPVBRJ-UHFFFAOYSA-N
Boiling Point:	235 °C
Density:	1.952 g/cm³
MDL:	MFCD09037801
LogP:	3.96340

Publication Number	Title	Priority Date
CN-112888480-A	Novel tricyclic compounds for the treatment and prevention of hepatitis b virus diseases	20181024
TW-202003490-A	Therapeutic compounds and methods of use thereof	20180522
WO-2019226687-A1	Pyrididne-sulfonamide derivatives as sodium channel inhibitors	20180522
CN-112368274-A	Pyridine-sulfonamide derivatives as sodium channel inhibitors	20180522
EP-3797101-A1	Pyrididne-sulfonamide derivatives as sodium channel inhibitors	20180522

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	305.89201
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	305.89201
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1