sodium 1-[(tert-butoxy)carbonyl]azetidine-3-sulfinate, 95%

Name: sodium 1-[(tert-butoxy)carbonyl]azetidine-3-sulfinate
Brand: Chempure

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CAS Number

1622013-57-3

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IUPAC name	sodium;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-sulfinate
inchi	InChI=1S/C8H15NO4S.Na/c1-8(2,3)13-7(10)9-4-6(5-9)14(11)12;/h6H,4-5H2,1-3H3,(H,11,12);/q;+1/p-1
inchi key	KYPHAOQWDKDUAC-UHFFFAOYSA-M
molecular formula	C8H14NNaO4S
synonyms	SODIUM 1-(TERT-BUTOXYCARBONYL)AZETIDINE-3-SULFINATE 1622013-57-3 Sodium N-Boc-azetidine-3-sulfinate starbld0012558 SCHEMBL21798187

Computed Properties

Molecular Weight:	243.26 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	3
Exact Mass:	243.05412338 g/mol
Monoisotopic Mass:	243.05412338 g/mol
Topological Polar Surface Area:	88.9 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	260
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): 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]

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Product No: BM1404

sodium 1-[(tert-butoxy)carbonyl]azetidine-3-sulfinate, 95%

Product No: BM1404

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SAFETY AND HAZARDS

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