Azidomethyl phenyl sulfide - CAS 77422-70-9

Catalog:	BB035937
Product Name:	Azidomethyl phenyl sulfide
CAS:	77422-70-9
Synonyms:	azidomethylsulfanylbenzene

Technical Data

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Computed Properties

IUPAC Name:	azidomethylsulfanylbenzene
Description:	Azidomethyl phenyl sulfide (CAS# 77422-70-9 ) is a useful research chemical.
Molecular Weight:	165.22
Molecular Formula:	C7H7N3S
Canonical SMILES:	C1=CC=C(C=C1)SCN=[N+]=[N-]
InChI:	InChI=1S/C7H7N3S/c8-10-9-6-11-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:	KIQGRMGPIMCXSC-UHFFFAOYSA-N
Boiling Point:	104-105 ℃ / 5 mmHg (lit.)
Purity:	> 97.0 % (LC)
Density:	1.168 g/cm³
Appearance:	Colorless to gold liquid
MDL:	MFCD00009700
LogP:	2.49926

Publication Number	Title	Priority Date
CN-112670575-A	Additive for lithium ion battery electrolyte and application thereof	20201222
WO-2019214975-A1	Process for the production of modified polyethylene materials.	20180508
EP-3790908-A1	Process for the production of modified polyethylene materials	20180508
US-2021238333-A1	Process for the production of modified polyethylene materials	20180508
EP-3486266-A1	Process for the production of modified polyolefin materials	20171117

PMID	Publication Date	Title	Journal
11405751	20010614	Amination of grignard reagents with retention of configuration	Organic letters

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Related Functional Groups

Nitrogen Compounds

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[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
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[55877-31-1]
1-Benzofuran-3-carbonitrile
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[351-28-0]
3'-Fluoroacetanilide

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GHS Hazard Statement:	H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
Precautionary Statement:	P210, P220, P234, P280, P370+P378, P403+P235, P411, P420, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.03606841
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.03606841
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	3.4