1-[(tert-butoxy)carbonyl]-4,4-difluoropyrrolidine-2-carboxylic acid, 95%

Name: 1-[(tert-butoxy)carbonyl]-4,4-difluoropyrrolidine-2-carboxylic acid
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

1000313-01-8

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IUPAC name	4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
inchi	InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)
inchi key	WTMZYKCXBXPVPT-UHFFFAOYSA-N
molecular formula	C10H15F2NO4
synonyms	1000313-01-8 1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid 1-[(tert-butoxy)carbonyl]-4,4-difluoropyrrolidine-2-carboxylic acid 4,4-Difluoro-1-Boc-2-pyrrolidinecarboxylic acid 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Computed Properties

Molecular Weight:	251.23 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	3
Exact Mass:	251.09691428 g/mol
Monoisotopic Mass:	251.09691428 g/mol
Topological Polar Surface Area:	66.8 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	338
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	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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*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: AW9584

1-[(tert-butoxy)carbonyl]-4,4-difluoropyrrolidine-2-carboxylic acid, 95%

Product No: AW9584

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Product No: AW9584

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?