4-Chloro-2-nitrobenzyl alcohol

• CAS: 22996-18-5
• Catalog Number: ACM22996185
• Category: Alcohols
• Molecular Weight: 187.58
• Molecular Formula: C₇H₆ClNO₃
• Synonyms: 4-Chloro-2-nitrobenzyl alcohol, 188271_ALDRICH, ZINC02166807, CID89956, Benzenemethanol, 4-chloro-2-nitro-, EINECS 245-374-8, 22996-18-5
• IUPAC Name: (4-chloro-2-nitrophenyl)methanol
• Canonical SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])CO
• InChI Key: OAHGNOHGHOTZQU-UHFFFAOYSA-N
• Boiling Point: 347.6ºC at 760 mmHg
• Melting Point: 90-92ºC(lit.)
• Flash Point: 164ºC
• Density: 1.476g/cm³
• Appearance: white to light yellow crystal powder
• Exact Mass: 187.00400
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 4-Chloro-2-nitrobenzyl alcohol?

The molecular formula of 4-Chloro-2-nitrobenzyl alcohol is C7H6ClNO3.

What is the molecular weight of 4-Chloro-2-nitrobenzyl alcohol?

The molecular weight of 4-Chloro-2-nitrobenzyl alcohol is 187.58 g/mol.

What is the IUPAC name of 4-Chloro-2-nitrobenzyl alcohol?

The IUPAC name of 4-Chloro-2-nitrobenzyl alcohol is (4-chloro-2-nitrophenyl)methanol.

What is the InChI of 4-Chloro-2-nitrobenzyl alcohol?

The InChI of 4-Chloro-2-nitrobenzyl alcohol is InChI=1S/C7H6ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-3,10H,4H2.

What is the InChIKey of 4-Chloro-2-nitrobenzyl alcohol?

The InChIKey of 4-Chloro-2-nitrobenzyl alcohol is OAHGNOHGHOTZQU-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Chloro-2-nitrobenzyl alcohol?

The canonical SMILES of 4-Chloro-2-nitrobenzyl alcohol is C1=CC(=C(C=C1Cl)[N+](=O)[O-])CO.

What is the CAS number of 4-Chloro-2-nitrobenzyl alcohol?

The CAS number of 4-Chloro-2-nitrobenzyl alcohol is 22996-18-5.

What is the UNII of 4-Chloro-2-nitrobenzyl alcohol?

The UNII of 4-Chloro-2-nitrobenzyl alcohol is 747AE4CWN5.

What is the DSSTox Substance ID of 4-Chloro-2-nitrobenzyl alcohol?

The DSSTox Substance ID of 4-Chloro-2-nitrobenzyl alcohol is DTXSID30177537.

Is 4-Chloro-2-nitrobenzyl alcohol considered a canonicalized compound?

Yes, 4-Chloro-2-nitrobenzyl alcohol is considered a canonicalized compound.