3-Methyl-5-phenyl-1H-pyrazole, 99%

Name: 3-Methyl-5-phenyl-1H-pyrazole
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

3347-62-4

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About this item

IUPAC name	5-methyl-3-phenyl-1H-pyrazole
canonical smiles	CC1=CC(=NN1)C2=CC=CC=C2
inchi	InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
inchi key	QHRSESMSOJZMCO-UHFFFAOYSA-N
molecular formula	C10H10N2
synonyms	3-Methyl-5-phenyl-1H-pyrazole 3347-62-4 5-methyl-3-phenyl-1H-pyrazole Femerazol 3-Methyl-5-phenylpyrazole

Computed Properties

Molecular Weight:	158.20 g/mol
XLogP3:	2.3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	1
Exact Mass:	158.084398327 g/mol
Monoisotopic Mass:	158.084398327 g/mol
Topological Polar Surface Area:	28.7 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	141
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 (97.5%) 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 (97.5%): 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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*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: AB7681

3-Methyl-5-phenyl-1H-pyrazole, 99%

Product No: AB7681

About this item

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Product No: AB7681

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?