2-Amino-3,5-dichlorobenzonitrile - CAS 36764-94-0

Name: 2-Amino-3,5-dichlorobenzonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023067
Product Name:	2-Amino-3,5-dichlorobenzonitrile
CAS:	36764-94-0
Synonyms:	2-amino-3,5-dichlorobenzonitrile

Technical Data

IUPAC Name:	2-amino-3,5-dichlorobenzonitrile
Description:	2-Amino-3,5-dichlorobenzonitrile (CAS# 36764-94-0) is a useful research chemical used in the preparation of N-Chloro-N-methoxybenzenesulfonamide, a chlorinating agent.
Molecular Weight:	187.03
Molecular Formula:	C7H4Cl2N2
Canonical SMILES:	C1=C(C=C(C(=C1Cl)N)C#N)Cl
InChI:	InChI=1S/C7H4Cl2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
InChI Key:	ZHKNDJRPOVUPMT-UHFFFAOYSA-N
Boiling Point:	284.7 °C at 760 mmHg
Melting Point:	123-127 °C (lit.)
Purity:	95 %
Density:	1.48 g/cm³
Appearance:	White to light yellow crystal
MDL:	MFCD00158947
LogP:	3.02848

GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
DE-102018201548-A1	Electrolytic composition for electrochemical cell for high temperature applications	20180201
WO-2019149812-A1	Electrolyte composition for electrochemical cell for high-temperature applications	20180201
US-10240084-B2	Non-crystallizable pi-conjugated molecular glass mixtures, charge transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications	20140325
US-2015275076-A1	Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications	20140325
US-2015011628-A1	Substitute diphenylamine compounds use thereof as antitumor agents	20120314

Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.9751535
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.9751535
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8