2,2-difluoro-1,3-dioxaindane-4-carbonitrile, 95%

Name: 2,2-difluoro-1,3-dioxaindane-4-carbonitrile
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

161886-18-6

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About this item

IUPAC name	2,2-difluoro-1,3-benzodioxole-4-carbonitrile
inchi	InChI=1S/C8H3F2NO2/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3H
inchi key	BVCHTYSRAQFUBN-UHFFFAOYSA-N
molecular formula	C8H3F2NO2
synonyms	161886-18-6 2,2-DIFLUORO-4-CYANO-1,3-BENZODIOXOLE 2,2-difluorobenzo[d][1,3]dioxole-4-carbonitrile 2,2-DIFLUORO-1,3-BENZODIOXOLE-4-CARBONITRILE 2,2-difluoro-2H-1,3-benzodioxole-4-carbonitrile

Computed Properties

Molecular Weight:	183.11 g/mol
XLogP3:	2.2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	0
Exact Mass:	183.01318466 g/mol
Monoisotopic Mass:	183.01318466 g/mol
Topological Polar Surface Area:	42.2 Å²
Heavy Atom Count:	13
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:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning 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: BM0903

2,2-difluoro-1,3-dioxaindane-4-carbonitrile, 95%

Product No: BM0903

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Product No: BM0903

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NAME AND IDENTIFIERS

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SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?