2-Chloro-5-nitro-p-xylene - CAS 34633-69-7

Catalog:	BB022212
Product Name:	2-Chloro-5-nitro-p-xylene
CAS:	34633-69-7
Synonyms:	1-chloro-2,5-dimethyl-4-nitrobenzene; 1-chloro-2,5-dimethyl-4-nitrobenzene

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-chloro-2,5-dimethyl-4-nitrobenzene
Description:	2-Chloro-5-nitro-p-xylene (CAS# 34633-69-7) is a useful research chemical.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	CC1=CC(=C(C=C1Cl)C)[N+](=O)[O-]
InChI:	InChI=1S/C8H8ClNO2/c1-5-4-8(10(11)12)6(2)3-7(5)9/h3-4H,1-2H3
InChI Key:	JMEXAQBBMDHIGQ-UHFFFAOYSA-N
Boiling Point:	273.2 °C at 760 mmHg
Density:	1.273 g/cm³
Appearance:	Solid
LogP:	3.38820

Publication Number	Title	Priority Date
WO-2021120890-A1	Pyrazolyl derivatives useful as anti-cancer agents	20191220
WO-2021124222-A1	Pyrazolyl derivatives useful as anti-cancer agents	20191220
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
TW-202037587-A	Novel diamines, novel polyimides derived therefrom and molded body thereof	20190129

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[1170836-25-5]
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[618-40-6]
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[2006278-12-0]
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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0243562
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.0243562
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1