3-(Difluoromethoxy)-4-methylaniline - CAS 264194-31-2

Catalog:	BB019274
Product Name:	3-(Difluoromethoxy)-4-methylaniline
CAS:	264194-31-2
Synonyms:	3-(difluoromethoxy)-4-methylaniline; 3-(difluoromethoxy)-4-methylaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(difluoromethoxy)-4-methylaniline
Description:	3-(Difluoromethoxy)-4-methylaniline (CAS# 264194-31-2) is a useful research chemical.
Molecular Weight:	173.16
Molecular Formula:	C8H9F2NO
Canonical SMILES:	CC1=C(C=C(C=C1)N)OC(F)F
InChI:	InChI=1S/C8H9F2NO/c1-5-2-3-6(11)4-7(5)12-8(9)10/h2-4,8H,11H2,1H3
InChI Key:	YSPKMFVBKRHCMG-UHFFFAOYSA-N
LogP:	2.75980

Publication Number	Title	Priority Date
WO-2021069705-A1	Isoindolinone compounds	20191009
AU-2017217542-A1	Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators	20160210
CA-3014314-A1	Substituted 1,2,3-triazoles as nr2b-selective nmda modulators	20160210
CN-109071488-A	Substituted 1,2,3- triazole is as NR2B- selective NMDA regulator	20160210
EP-3414233-A1	Substituted 1,2,3-triazoles as nr2b-selective nmda modulators	20160210

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Related Functional Groups

Amines and Anilines

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(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1824357-78-9]
2-(1-Benzyl-3-pyrazolyl)ethylamine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.06522023
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.06522023
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1