2-Phthalimidoethanesulfonyl chloride - CAS 4403-36-5

Catalog:	BB025513
Product Name:	2-Phthalimidoethanesulfonyl chloride
CAS:	4403-36-5
Synonyms:	2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride
Description:	2-Phthalimidoethanesulfonyl chloride (CAS# 4403-36-5) is a useful research chemical.
Molecular Weight:	273.69
Molecular Formula:	C10H8ClNO4S
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)N(C2=O)CCS(=O)(=O)Cl
InChI:	InChI=1S/C10H8ClNO4S/c11-17(15,16)6-5-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2
InChI Key:	HCPVYBCAYPMANM-UHFFFAOYSA-N
Boiling Point:	416.5 °C at 760 mmHg
Purity:	97 %
Density:	1.585 g/cm³
Appearance:	White to off-white powder
MDL:	MFCD01861217
LogP:	1.86990

Publication Number	Title	Priority Date
WO-2021066088-A1	Novel triazine derivative	20191002
WO-2020206137-A1	Cdk2/5 degraders and uses thereof	20190404
WO-2020198583-A1	Bicyclic jak inhibitors and uses thereof	20190327
US-2020079772-A1	Antiviral pyridopyrazinedione compounds	20180912
WO-2020053654-A1	Antiviral pyridopyrazinedione compounds	20180912

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Related Functional Groups

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[874-87-3]
4-(Methylthio)benzyl chloride
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile

GHS Hazard Statement:	H314 (94%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	418
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.9862566
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	272.9862566
Rotatable Bond Count:	3
Topological Polar Surface Area:	79.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6