4-Chloro-2-methoxyaniline - CAS 93-50-5

Catalog:	BB040947
Product Name:	4-Chloro-2-methoxyaniline
CAS:	93-50-5
Synonyms:	4-chloro-2-methoxyaniline; 4-chloro-2-methoxyaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-2-methoxyaniline
Description:	Important intermediate used for the synthesis of CXCR2 antagonists and some CD4-gp120 binding inhibitors.
Molecular Weight:	157.60
Molecular Formula:	C7H8ClNO
Canonical SMILES:	COC1=C(C=CC(=C1)Cl)N
InChI:	InChI=1S/C7H8ClNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
InChI Key:	WOXLPNAOCCIZGP-UHFFFAOYSA-N
Boiling Point:	608.1 °C at 760 mmHg
Density:	1.244 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD06801386
LogP:	2.51200

Publication Number	Title	Priority Date
JP-2021134343-A	A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture.	20200227
WO-2021067313-A1	Eukaryotic semi-synthetic organisms	20190930
WO-2021061929-A1	Bicyclic carboxylates as modulators of transporters and uses thereof	20190925
WO-2021061643-A1	METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION	20190923
WO-2021034729-A1	N-aryl sulfonamide derivatives as vaccine adjuvant	20190816

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.0294416
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.0294416
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9