3-Fluoro-2-methyl-6-nitroaniline - CAS 485832-96-0

Catalog:	BB026557
Product Name:	3-Fluoro-2-methyl-6-nitroaniline
CAS:	485832-96-0
Synonyms:	3-fluoro-2-methyl-6-nitroaniline; 3-fluoro-2-methyl-6-nitroaniline

Technical Data

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Computed Properties

IUPAC Name:	3-fluoro-2-methyl-6-nitroaniline
Description:	3-Fluoro-2-methyl-6-nitroaniline (CAS# 485832-96-0) is a useful research chemical.
Molecular Weight:	170.14
Molecular Formula:	C7H7FN2O2
Canonical SMILES:	CC1=C(C=CC(=C1N)[N+](=O)[O-])F
InChI:	InChI=1S/C7H7FN2O2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,9H2,1H3
InChI Key:	CRPZQUGQOPIFPQ-UHFFFAOYSA-N
Boiling Point:	310.1 °C at 760 mmHg
Density:	1.371 g/cm³
LogP:	2.72890

Publication Number	Title	Priority Date
US-2021188829-A1	Chemical Compounds	20191220
WO-2021124155-A1	Benzimidazole derivatives	20191220
AU-2018370903-A1	Pyrazolopyridinone compounds	20171124
CA-3082509-A1	Pyrazolopyridinone compounds	20171124
WO-2019101182-A1	Pyrazolopyridinone compounds	20171124

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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:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.04915563
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.04915563
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1