3-Amino-5-chlorobenzonitrile - CAS 53312-78-0

Name: 3-Amino-5-chlorobenzonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028127
Product Name:	3-Amino-5-chlorobenzonitrile
CAS:	53312-78-0
Synonyms:	3-amino-5-chlorobenzonitrile; 3-amino-5-chlorobenzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-amino-5-chlorobenzonitrile
Description:	3-Amino-5-chlorobenzonitrile (CAS# 53312-78-0) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	152.58
Molecular Formula:	C7H5ClN2
Canonical SMILES:	C1=C(C=C(C=C1N)Cl)C#N
InChI:	InChI=1S/C7H5ClN2/c8-6-1-5(4-9)2-7(10)3-6/h1-3H,10H2
InChI Key:	JRBVDAQXMNYPHC-UHFFFAOYSA-N
Boiling Point:	309 °C at 760 mmHg
Purity:	98 %
Density:	1.33 g/cm³
MDL:	MFCD06797224
LogP:	2.37508

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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WO-2021110076-A1	Oxamide derivatives, preparation method therefor and use thereof in medicine	20191204
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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:	2