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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

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1855911-19-1]
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[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[111-85-3]
1-Chlorooctane

Pyrrolidines

[1427004-19-0]
DBCO-PEG4-NHS ester
[1096881-75-2]
1-Benzhydryl-3-pyrrolidinone
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[1627185-88-9]
tert-Butyl ((3S,4S)-4-methoxypyrrolidin-3-yl)carbamate
[1228070-72-1]
(Racemic trans)-1-tert-butyl 3-methyl 4-(2-Chloro-5-methylpyridin-3-yl)pyrrolidine-1,3-dicarboxylate
[1353995-46-6]
(R)-1-((2,4-Dichlorophenyl)sulfonyl)pyrrolidin-3-ol

Sulfur Compounds

[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[1879-16-9]
4-Methoxythioanisole
[52147-97-4]
trans-β-Styrenesulfonyl chloride
[156-57-0]
Cysteamine hydrochloride
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate

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