tert-butyl 3-isothiocyanatopyrrolidine-1-carboxylate, 95%

Name: tert-butyl 3-isothiocyanatopyrrolidine-1-carboxylate
Brand: Chempure

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CAS Number

1081979-18-1

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About this item

IUPAC name	tert-butyl 3-isothiocyanatopyrrolidine-1-carboxylate
inchi	InChI=1S/C10H16N2O2S/c1-10(2,3)14-9(13)12-5-4-8(6-12)11-7-15/h8H,4-6H2,1-3H3
inchi key	BRHYXIAYPHYBDB-UHFFFAOYSA-N
molecular formula	C10H16N2O2S
synonyms	tert-butyl 3-isothiocyanatopyrrolidine-1-carboxylate 1081979-18-1 SCHEMBL3816352 EN300-6748633

Computed Properties

Molecular Weight:	228.31 g/mol
XLogP3:	2.6
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	228.09324893 g/mol
Monoisotopic Mass:	228.09324893 g/mol
Topological Polar Surface Area:	74 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	292
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (100%) Skin Corr. 1B (100%) STOT SE 3 (100%)
precautionary statement codes	P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P361+P364, P363, P403+P233, P405, and P501
hazard statements	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AZ3803

tert-butyl 3-isothiocyanatopyrrolidine-1-carboxylate, 95%

Product No: AZ3803

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Certificate of Analysis

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Product No: AZ3803

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?