4-isocyanooxane, 95%

Name: 4-isocyanooxane
Brand: Chempure

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CAS Number

1000699-00-2

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About this item

IUPAC name	4-isocyanooxane
inchi	InChI=1S/C6H9NO/c1-7-6-2-4-8-5-3-6/h6H,2-5H2
inchi key	NEOIPTGICFBMEE-UHFFFAOYSA-N
molecular formula	C6H9NO
synonyms	4-isocyanooxane 1000699-00-2 4-Isocyanotetrahydropyran MFCD25953977 4-Isocyanotetrahydro-2H-pyran

Computed Properties

Molecular Weight:	111.14 g/mol
XLogP3:	0.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	111.068413911 g/mol
Monoisotopic Mass:	111.068413911 g/mol
Topological Polar Surface Area:	13.6 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	107
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:	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: AX0123

4-isocyanooxane, 95%

Product No: AX0123

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Product No: AX0123

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?