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Tert-Butyl 3-(chlorosulfonyl)pyrrolidine-1-carboxylate

Tert-Butyl 3-(chlorosulfonyl)pyrrolidine-1-carboxylate - CAS 935845-20-8

Catalog:	BB043525
Product Name:	Tert-Butyl 3-(chlorosulfonyl)pyrrolidine-1-carboxylate
CAS:	935845-20-8
Synonyms:	SCHEMBL55991; 3-Chlorosulfonyl-pyrrolidine-1-carboxylic acid tert-butyl ester; 1-Pyrrolidinecarboxylic acid, 3-(chlorosulfonyl)-, 1,1-dimethylethyl ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	tert-butyl 3-chlorosulfonylpyrrolidine-1-carboxylate
Description:	Tert-Butyl 3-(chlorosulfonyl)pyrrolidine-1-carboxylate (CAS# 935845-20-8 ) is a useful research chemical.
Molecular Weight:	269.75
Molecular Formula:	C9H16ClNO4S
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(C1)S(=O)(=O)Cl
InChI:	InChI=1S/C9H16ClNO4S/c1-9(2,3)15-8(12)11-5-4-7(6-11)16(10,13)14/h7H,4-6H2,1-3H3
InChI Key:	NTBNFZSSXSSJBA-UHFFFAOYSA-N

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Related Functional Groups

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
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1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[856848-33-4]
2-Amino-4,5-dibromopyridine

Pyrrolidines

[1096881-75-2]
1-Benzhydryl-3-pyrrolidinone
[1228070-72-1]
(Racemic trans)-1-tert-butyl 3-methyl 4-(2-Chloro-5-methylpyridin-3-yl)pyrrolidine-1,3-dicarboxylate
[1319738-39-0]
(R)-4-((R)-1-((7-(3,4,5-Trimethoxyphenyl)-1,6-naphthyridin-5-yl)oxy)ethyl)pyrrolidin-2-one
[75847-73-3]
Enalapril
[5747-92-2]
Ethyl 1-benzyl-pyrrolidine-3-carboxylate
[198959-37-4]
Methyl pyrrolidine-3-carboxylate hydrochloride

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
1-Naphthalenesulfonic acid
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

GHS Hazard Statement:	H302 (94.74%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (94.74%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (94.74%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	368
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	269.0488569
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	269.0488569
Rotatable Bond Count:	3
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5