sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-2-yl)but-2-en-2-olate, 95%

Name: sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-2-yl)but-2-en-2-olate
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

1006961-48-3

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IUPAC name	sodium;(Z)-1,1,1-trifluoro-4-oxo-4-pyridin-2-ylbut-2-en-2-olate
inchi	InChI=1S/C9H6F3NO2.Na/c10-9(11,12)8(15)5-7(14)6-3-1-2-4-13-6;/h1-5,15H;/q;+1/p-1/b8-5-;
inchi key	KMUBXQAHTVDCEA-HGKIGUAWSA-M
molecular formula	C9H5F3NNaO2
synonyms	1006961-48-3 sodium 1,1,1-trifluoro-4-oxo-4-pyridin-2-ylbut-2-en-2-olate sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-2-yl)but-2-en-2-olate sodium;(Z)-1,1,1-trifluoro-4-oxo-4-pyridin-2-ylbut-2-en-2-olate MFCD08444380

Computed Properties

Molecular Weight:	239.13 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	2
Exact Mass:	239.01700717 g/mol
Monoisotopic Mass:	239.01700717 g/mol
Topological Polar Surface Area:	53 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	278
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
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, 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] 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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Product No: AX3304

sodium 1,1,1-trifluoro-4-oxo-4-(pyridin-2-yl)but-2-en-2-olate, 95%

Product No: AX3304

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SAFETY AND HAZARDS

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