3-Nitrophenethyl alcohol

• CAS: 52022-77-2
• Catalog Number: ACM52022772
• Category: Alcohols
• Molecular Weight: 167.16
• Molecular Formula: C8H9NO3
• Synonyms: Benzeneethanol, 3-nitro-, 3-Nitrobenzeneethanol, m-Nitrophenethyl alcohol, 3-Nitrophenethyl alcohol, .beta.-(m-Nitrophenyl)ethanol, 281794_ALDRICH, EINECS 257-611-2, SBB008558, InChI=1/C8H9NO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10H,4-5H, 52022-77-2
• IUPAC Name: 2-(3-nitrophenyl)ethanol
• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CCO
• InChI Key: PWZWTSYUZQZFKE-UHFFFAOYSA-N
• Boiling Point: 141-146ºC4 mm Hg(lit.)
• Melting Point: 47-50ºC(lit.)
• Flash Point: 142.8ºC
• Density: 1.27g/cm³
• EC Number: 257-611-2
• Exact Mass: 167.05800
• Hazard Statements: H319
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: 26-37/39
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-Nitrophenethyl alcohol?

The molecular formula of 3-Nitrophenethyl alcohol is C8H9NO3.

What is the molecular weight of 3-Nitrophenethyl alcohol?

The molecular weight of 3-Nitrophenethyl alcohol is 167.16 g/mol.

What is the IUPAC Name of 3-Nitrophenethyl alcohol?

The IUPAC Name of 3-Nitrophenethyl alcohol is 2-(3-nitrophenyl)ethanol.

What is the InChI of 3-Nitrophenethyl alcohol?

The InChI of 3-Nitrophenethyl alcohol is InChI=1S/C8H9NO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10H,4-5H2.

What is the InChIKey of 3-Nitrophenethyl alcohol?

The InChIKey of 3-Nitrophenethyl alcohol is PWZWTSYUZQZFKE-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Nitrophenethyl alcohol?

The canonical SMILES of 3-Nitrophenethyl alcohol is C1=CC(=CC(=C1)[N+](=O)[O-])CCO.

What is the CAS number of 3-Nitrophenethyl alcohol?

The CAS number of 3-Nitrophenethyl alcohol is 52022-77-2.

What is the European Community (EC) number of 3-Nitrophenethyl alcohol?

The European Community (EC) number of 3-Nitrophenethyl alcohol is 257-611-2.

What is the UNII of 3-Nitrophenethyl alcohol?

The UNII of 3-Nitrophenethyl alcohol is V42W5FXD0R.

Is 3-Nitrophenethyl alcohol a canonicalized compound?

Yes, 3-Nitrophenethyl alcohol is a canonicalized compound.