2-Aminobenzyl cyanide - CAS 2973-50-4

Catalog:	BB020293
Product Name:	2-Aminobenzyl cyanide
CAS:	2973-50-4
Synonyms:	2-(2-aminophenyl)acetonitrile

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-(2-aminophenyl)acetonitrile
Description:	2-Aminobenzyl cyanide (CAS# 2973-50-4) is a useful reagent for organic synthesis and other chemical processes. It is used in the synthesis of triazolopyridines as a selective JAK1 inhibitors.
Molecular Weight:	132.16
Molecular Formula:	C8H8N2
Canonical SMILES:	C1=CC=C(C(=C1)CC#N)N
InChI:	InChI=1S/C8H8N2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5,10H2
InChI Key:	LMDPYYUISNUGGT-UHFFFAOYSA-N
Boiling Point:	302.2 ℃ at 760 mmHg
Melting Point:	69-72 ℃
Purity:	95 %
Density:	1.12 g/cm³
Appearance:	Brown solid
MDL:	MFCD00091082
LogP:	1.91608

Publication Number	Title	Priority Date
JP-2021105200-A	Metal surface treatment agent, metal material having a film, and its manufacturing method	20191226
JP-6779357-B1	Metal surface treatment agent, metal material having a film, and its manufacturing method	20191226
WO-2021131374-A1	Metal surface-treating agent, and metal material with coating film and method for manufacturing same	20191226
CN-109912439-A	A kind of method that cyanalcohol method continuously quickly prepares DL- phenylglycine and the like	20190402
WO-2020156357-A1	Compound having benzo seven-membered ring structure, preparation method therefor, and use thereof	20190202

PMID	Publication Date	Title	Journal
12115424	20020805	A two-step, one-pot enzymatic synthesis of cephalexin from D-phenylglycine nitrile	Biotechnology and bioengineering

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Related Functional Groups

Amines and Anilines

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[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.068748264
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.068748264
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9