2-Chloro-5-nitroanisole - CAS 1009-36-5

Catalog:	BB000395
Product Name:	2-Chloro-5-nitroanisole
CAS:	1009-36-5
Synonyms:	1-chloro-2-methoxy-4-nitrobenzene; 1-chloro-2-methoxy-4-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-chloro-2-methoxy-4-nitrobenzene
Description:	2-Chloro-5-nitroanisole (CAS# 1009-36-5) is a compound useful in organic synthesis.
Molecular Weight:	187.58
Molecular Formula:	C7H6ClNO3
Canonical SMILES:	COC1=C(C=CC(=C1)[N+](=O)[O-])Cl
InChI:	InChI=1S/C7H6ClNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3
InChI Key:	JXIJUAWSDBACEB-UHFFFAOYSA-N
Boiling Point:	287.3 °C at760 mmHg
Density:	1.366 g/cm³
MDL:	MFCD00079739
LogP:	2.78000

Publication Number	Title	Priority Date
CN-111763162-A	Diamine compound containing sulfoxide group bridge chain, and synthetic method and application thereof	20200622
CN-109912437-A	A kind of polyamine monomers and preparation method thereof, a kind of polyimides and preparation method thereof and a kind of Kapton	20190320
CN-109912437-B	Polyamine monomer and preparation method thereof, polyimide and preparation method thereof, and polyimide film	20190320
JP-2020121934-A	Novel diamines, novel polyimides derived therefrom and molded articles thereof	20190129
WO-2020158523-A1	Novel diamine, novel polyimide derived therefrom, and molded body thereof	20190129

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GHS Hazard Statement:	H302 (92.68%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.0036207
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.0036207
Rotatable Bond Count:	1
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5