1-Azido-3-iodobenzene solution - CAS 54467-96-8

Catalog:	BB028685
Product Name:	1-Azido-3-iodobenzene solution
CAS:	54467-96-8
Synonyms:	1-azido-3-iodobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-azido-3-iodobenzene
Description:	1-Azido-3-iodobenzene solution (CAS# 54467-96-8) is a useful research chemical.
Molecular Weight:	245.02
Molecular Formula:	C6H4IN3
Canonical SMILES:	C1=CC(=CC(=C1)I)N=[N+]=[N-]
InChI:	InChI=1S/C6H4IN3/c7-5-2-1-3-6(4-5)9-10-8/h1-4H
InChI Key:	LWYZABCCGZNMGK-UHFFFAOYSA-N
MDL:	MFCD11207348
LogP:	2.68576

Publication Number	Title	Priority Date
US-2018212026-A1	Surface modified diamond materials and methods of manufacturing	20161128
AU-2017260305-A1	Tetrahydropyrimidodiazepine and tetrahydropyridodiazepine compounds for treating pain and pain related conditions	20160506
CA-3023379-A1	Tetrahydropyrimidodiazepine and tetrahydropyridodiazepine compounds for treating pain and pain related conditions	20160506
CN-109526220-A	For treating the tetrahydropyrimidine and diaza * and tetrahydropyridine and diaza * compound of pain and the relevant situation of pain	20160506
EP-3452475-A1	Tetrahydropyrimidodiazepine and tetrahydropyridodiazepine compounds for treating pain and pain related conditions	20160506

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[1018142-95-4]
10-Ethyl-6,8-dimethyl-5-oxo-5,10-dihydropyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid

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GHS Hazard Statement:	H241 (97.44%): Heating may cause a fire or explosion [Danger Self-reactive substances and mixtures; Organic peroxides]
Precautionary Statement:	P210, P220, P234, P260, P261, P264, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P332+P313, P337+P313, P362, P370+P378, P370+P380+P375, P403+P233, P403+P235, P405, P411, P420, and P501
Signal Word:	Danger

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.94499
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	244.94499
Rotatable Bond Count:	1
Topological Polar Surface Area:	14.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2