4-Amino-2-chlorobenzonitrile - CAS 20925-27-3

Name: 4-Amino-2-chlorobenzonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	4-amino-2-chlorobenzonitrile
Description:	4-Amino-2-chlorobenzonitrile can be used to synthesize inhibitors for urokinase-type plasminogen activator (uPA) and inosine 5'-monophosphate dehydrogenase. It can also be used to make descyclopropyl lenvatinib (D288150).
Molecular Weight:	152.58
Molecular Formula:	C7H5ClN2
Canonical SMILES:	C1=CC(=C(C=C1N)Cl)C#N
InChI:	InChI=1S/C7H5ClN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2
InChI Key:	ZFBKYGFPUCUYIF-UHFFFAOYSA-N
Boiling Point:	301 °C
Melting Point:	116-118 °C
Purity:	98 %
Density:	1.33 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00035926
LogP:	2.37508

GHS Hazard Statement:	H301 (11.36%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-112194623-A	Synthetic method of key intermediate of lenvatinib derivative	20201016
WO-2021202936-A1	Pyrazolylpropanamide compounds and uses thereof for treatment of prostate cancer	20200402
KR-20210101636-A	1,2,4-oxadiazol derivatives compound and antiviral agent containing the same as an active ingredient	20200210
CN-112608320-A	Piperidine compound and preparation method and medical application thereof	20200116
WO-2021143792-A1	Piperidine compound, preparation method therefor and medical use thereof	20200116

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.0141259
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8