Benzenemethanol, α-methyl-3-nitro, 98%

Name: Benzenemethanol, α-methyl-3-nitro
Brand: Chempure

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CAS Number

5400-78-2

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About this item

IUPAC name	1-(3-nitrophenyl)ethanol
inchi	InChI=1S/C8H9NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-6,10H,1H3
inchi key	FRPQAVXDUWMFCK-UHFFFAOYSA-N
molecular formula	C8H9NO3
synonyms	1-(3-nitrophenyl)ethanol 5400-78-2 1-(3-NIitrophenyl)ethanol METHYL M-NITROPHENYL CARBINOL 1-(3-nitrophenyl)ethan-1-ol

Computed Properties

Molecular Weight:	167.16 g/mol
XLogP3:	1.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	167.058243149 g/mol
Monoisotopic Mass:	167.058243149 g/mol
Topological Polar Surface Area:	66 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	166
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
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, 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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*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: CH7418

Benzenemethanol, α-methyl-3-nitro, 98%

Product No: CH7418

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Product No: CH7418

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?