2-Chloro-4,6-difluoroaniline - CAS 36556-56-6

Catalog:	BB023006
Product Name:	2-Chloro-4,6-difluoroaniline
CAS:	36556-56-6
Synonyms:	2-chloro-4,6-difluoroaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-4,6-difluoroaniline
Description:	2-Chloro-4,6-difluoroaniline (CAS# 36556-56-6) is a useful research chemical.
Molecular Weight:	163.55
Molecular Formula:	C6H4ClF2N
Canonical SMILES:	C1=C(C=C(C(=C1F)N)Cl)F
InChI:	InChI=1S/C6H4ClF2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
InChI Key:	DUPRZIYJXCCXQZ-UHFFFAOYSA-N
Boiling Point:	178.6 °C at 760 mmHg
Melting Point:	28 °C
Purity:	98 %
Density:	1.459 g/cm³
Appearance:	Off-white to greenish-grey low melting solid
MDL:	MFCD00142892
LogP:	2.78160

Publication Number	Title	Priority Date
CN-112409349-A	Kinase inhibitor, preparation, pharmaceutical composition and application thereof	20190820
WO-2021032129-A1	Kinase inhibitor, preparation therefor, pharmaceutical composition thereof and use thereof	20190820
US-2019002479-A1	Heterocyclic compounds as rsv inhibitors	20170630
WO-2019006295-A1	HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS	20170630
US-11091501-B2	Heterocyclic compounds as RSV inhibitors	20170630

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Related Functional Groups

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Nitrogen Compounds

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[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
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Other Pyrimidines

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GHS Hazard Statement:	H301 (88.64%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501
Signal Word:	Danger

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6