4-METHOXYBENZYLCYANIDE (4-Methoxyphenylacetonitrile), > 99%

Name: 4-METHOXYBENZYLCYANIDE (4-Methoxyphenylacetonitrile)
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

104-47-2

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About this item

IUPAC name	2-(4-methoxyphenyl)acetonitrile
inchi	InChI=1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3
inchi key	PACGLQCRGWFBJH-UHFFFAOYSA-N
molecular formula	C9H9NO
synonyms	4-Methoxyphenylacetonitrile 104-47-2 2-(4-methoxyphenyl)acetonitrile 4-Methoxybenzyl cyanide (4-methoxyphenyl)acetonitrile

Computed Properties

Molecular Weight:	147.17 g/mol
XLogP3:	1.6
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	2
Exact Mass:	147.068413911 g/mol
Monoisotopic Mass:	147.068413911 g/mol
Topological Polar Surface Area:	33 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	150
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	Acute Tox. 3 (98%) Aquatic Chronic 3 (17.6%)
precautionary statement codes	P264, P270, P273, P301+P316, P321, P330, P405, and P501
hazard statements	H301 (98%): Toxic if swallowed [Danger Acute toxicity, oral] H412 (17.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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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: AY5164

4-METHOXYBENZYLCYANIDE (4-Methoxyphenylacetonitrile), > 99%

Product No: AY5164

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About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?