2-Propoxyaniline - CAS 4469-78-7

Catalog:	BB025697
Product Name:	2-Propoxyaniline
CAS:	4469-78-7
Synonyms:	2-propoxyaniline; 2-propoxyaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-propoxyaniline
Description:	2-Propoxyaniline (CAS# 4469-78-7) is a useful research chemical.
Molecular Weight:	151.21
Molecular Formula:	C9H13NO
Canonical SMILES:	CCCOC1=CC=CC=C1N
InChI:	InChI=1S/C9H13NO/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6H,2,7,10H2,1H3
InChI Key:	AXXYMKMFXNCXGM-UHFFFAOYSA-N
Boiling Point:	249.3 °C at 760 mmHg
Density:	1.016 g/cm³
LogP:	2.63880

Publication Number	Title	Priority Date
WO-2021153374-A1	Azo compound or salt thereof, and dye-based polarizing film, dye-based polarizing plate and display device each containing same	20200129
WO-2021015188-A1	Azo compound, and polarizing film and polarizing plate including same	20190722
WO-2020230647-A1	Achromatic polarizer, achromatic polarizing plate using same, and display device	20190513
TW-202106814-A	Achromatic polarizing element, and achromatic polarizing plate and display using the same	20190513
WO-2020189201-A1	Method for producing bisphenol and method for producing polycarbonate resin	20190318

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GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; 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]; H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.099714038
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	151.099714038
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1