4-Iodophenylacetonitrile - CAS 51628-12-7

Name: 4-Iodophenylacetonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027521
Product Name:	4-Iodophenylacetonitrile
CAS:	51628-12-7
Synonyms:	2-(4-iodophenyl)acetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-(4-iodophenyl)acetonitrile
Description:	4-Iodophenylacetonitrile (CAS# 51628-12-7) is a useful research chemical.
Molecular Weight:	243.04
Molecular Formula:	C8H6IN
Canonical SMILES:	C1=CC(=CC=C1CC#N)I
InChI:	InChI=1S/C8H6IN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
InChI Key:	PNXWQTYSBFGIFD-UHFFFAOYSA-N
Boiling Point:	285.8 °C at 760 mmHg
Melting Point:	53-57 °C (lit.)
Purity:	95 %
Density:	1.764 g/cm³
Appearance:	Solid
MDL:	MFCD00060306
LogP:	2.35728

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine

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GHS Hazard Statement:	H302 (95.56%): 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
CN-110627823-A	Method for catalyzing arylamine to generate deamination boric acid esterification or halogenation	20191017
CN-110627823-B	Method for catalyzing arylamine to generate deamination boric acid esterification or halogenation	20191017
CN-108002991-B	Visible light catalytic halogenated aromatic hydrocarbon dehalogenation method without photooxidation-reduction catalyst	20171220
US-2020048230-A1	Heterocyclic compound and organic light emitting element including same	20170630
CN-106554266-B	Preparation method of methoxyphenylacetic acid, intermediate thereof and salt thereof	20150906

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.95450
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	242.95450
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2