5-Chloro-2-fluoroaniline - CAS 2106-05-0

Catalog:	BB016577
Product Name:	5-Chloro-2-fluoroaniline
CAS:	2106-05-0
Synonyms:	5-chloro-2-fluoroaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-chloro-2-fluoroaniline
Description:	5-Chloro-2-fluoroaniline (CAS# 2106-05-0) is a useful research chemical.
Molecular Weight:	145.56
Molecular Formula:	C6H5ClFN
Canonical SMILES:	C1=CC(=C(C=C1Cl)N)F
InChI:	InChI=1S/C6H5ClFN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChI Key:	JCYROOANFKVAIB-UHFFFAOYSA-N
Boiling Point:	102-105 °C (20 mmHg)
Purity:	98 %
Density:	1.29 g/cm³
Appearance:	Colorless to brown liquid
MDL:	MFCD00069416
LogP:	2.64250

Publication Number	Title	Priority Date
CN-112778154-A	Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application	20210118
CN-111196839-A	Thiostrepton derivative and preparation method thereof	20191231
WO-2021127397-A1	Nitrogen heterocyclic compounds and methods of use	20191219
WO-2021080929-A1	N-(heteroaryl) quinazolin-2-amine derivatives as lrrk2 inhibitors, pharmaceutical compositions, and uses thereof	20191025
CN-110551117-A	Phenazine compound containing oxazole ring and application of phenazine compound as agricultural bactericide	20191009

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GHS Hazard Statement:	H302 (10.87%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.0094550
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.0094550
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1