Iodoacetonitrile - CAS 624-75-9

Name: Iodoacetonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031608
Product Name:	Iodoacetonitrile
CAS:	624-75-9
Synonyms:	2-iodoacetonitrile

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-iodoacetonitrile
Description:	Iodoacetonitrile (CAS# 624-75-9) is a useful research chemical.
Molecular Weight:	166.95
Molecular Formula:	C2H2IN
Canonical SMILES:	C(C#N)I
InChI:	InChI=1S/C2H2IN/c3-1-2-4/h1H2
InChI Key:	VODKOOOHHCAWFR-UHFFFAOYSA-N
Boiling Point:	182-184 °C (720 mmHg)
Density:	2.307 g/cm³
Appearance:	Orange to brown liquid
MDL:	MFCD00001886
LogP:	0.94498

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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
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole

GHS Hazard Statement:	H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113049707-A	On-line liquid-liquid extraction gas chromatography-mass spectrometry method for determining monobromo-dichloroacetonitrile in water	20210322
CN-111606818-A	Chelating agent, cleaning agent and preparation method of chelating agent	20200512
WO-2021211882-A1	Methods for preparing tyrosine receptor kinase inhibitors	20200415
US-2021309698-A1	Methods for treatment and diagnosis of non-alcoholic steatohepatitis and/or hepatocellular carcinoma	20200406
CN-111307989-A	Method for simultaneously measuring trihalomethane and haloacetonitrile in water	20200328

PMID	Publication Date	Title	Journal
21272032	20110301	Occupational erythema multiforme-like contact reaction to iodoacetonitrile in a chemistry student	Contact dermatitis
21941408	20110101	Disturbances in the glutathione/ophthalmate redox buffer system in the woodchuck model of hepatitis virus-induced hepatocellular carcinoma	HPB surgery : a world journal of hepatic, pancreatic and biliary surgery
19199766	20090219	Intermolecular nonreductive alkylation of enamides via radical-polar crossover	Organic letters
18931805	20081107	Optimisation of chemical protein cleavage for erythropoietin semi-synthesis using native chemical ligation	Organic & biomolecular chemistry
17310735	20070115	Haloacetonitriles vs. regulated haloacetic acids: are nitrogen-containing DBPs more toxic?	Environmental science & technology

Complexity:	41.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.92320
Formal Charge:	0
Heavy Atom Count:	4
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.92320
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7