6-isocyanato-2,3-dihydro-1,4-benzodioxine, 95%

Name: 6-isocyanato-2,3-dihydro-1,4-benzodioxine
Brand: Chempure

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CAS Number

100275-94-3

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About this item

IUPAC name	6-isocyanato-2,3-dihydro-1,4-benzodioxine
inchi	InChI=1S/C9H7NO3/c11-6-10-7-1-2-8-9(5-7)13-4-3-12-8/h1-2,5H,3-4H2
inchi key	OGVYMEFCSKVNQH-UHFFFAOYSA-N
molecular formula	C9H7NO3
synonyms	100275-94-3 6-isocyanato-2,3-dihydro-1,4-benzodioxine 2,3-Dihydro-1,4-benzodioxin-6-yl isocyanate 6-Isocyanato-1,4-benzodioxane MFCD02677705

Computed Properties

Molecular Weight:	177.16 g/mol
XLogP3:	2.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	177.042593085 g/mol
Monoisotopic Mass:	177.042593085 g/mol
Topological Polar Surface Area:	47.9 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	225
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	Danger
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) Resp. Sens. 1 (100%) STOT SE 3 (100%)
precautionary statement codes	P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, 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] H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] 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: AX1095

6-isocyanato-2,3-dihydro-1,4-benzodioxine, 95%

Product No: AX1095

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SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?