5-Chloro-2,4-difluoroaniline - CAS 348-65-2

Catalog:	BB022341
Product Name:	5-Chloro-2,4-difluoroaniline
CAS:	348-65-2
Synonyms:	5-chloro-2,4-difluoroaniline; 5-chloro-2,4-difluoroaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-chloro-2,4-difluoroaniline
Description:	5-Chloro-2,4-difluoroaniline can be used as reactant/reagent in preparation of aminoisoxazoline compds. as agonists of α7-nicotinic acetylcholine receptors.
Molecular Weight:	163.55
Molecular Formula:	C6H4ClF2N
Canonical SMILES:	C1=C(C(=CC(=C1Cl)F)F)N
InChI:	InChI=1S/C6H4ClF2N/c7-3-1-6(10)5(9)2-4(3)8/h1-2H,10H2
InChI Key:	IKDJKRZDCUNAAB-UHFFFAOYSA-N
Boiling Point:	218.7 °C at 760 mmHg
Density:	1.459 g/cm³
MDL:	MFCD06808806
LogP:	2.78160

Publication Number	Title	Priority Date
WO-2021028643-A1	Heterocyclic compounds for use in the treatment of cancer	20190809
WO-2021028670-A1	Deuterated compounds for use in the treatment of cancer	20190809
EP-3511334-A1	1,2,3',5'-tetrahydro-2'h-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,3'-dione compounds as therapeutic agents activating tp53	20180116
WO-2019141549-A1	1,2,3',5'-tetrahydro-2'h-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,3'-dione compounds as therapeutic agents activating tp53	20180116
WO-2019141549-A9	1,2,3',5'-tetrahydro-2'h-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,3'-dione compounds as therapeutic agents activating tp53	20180116

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.0000331
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.0000331
Rotatable Bond Count:	0
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1