3-Chloro-2-nitrobenzyl alcohol

• CAS: 77158-86-2
• Catalog Number: ACM77158862
• Category: Alcohols
• Molecular Weight: 187.58
• Molecular Formula: C₇H₆BrClO
• Synonyms: 3-Chloro-2-nitrobenzyl alcohol, 77158-86-2, SureCN68857, ACMC-20an72, Ambap77158-86-2, 647586_ALDRICH, CTK5E3966, Benzenemethanol,3-chloro-2-nitro-, AKOS015889295, AG-H-08350, KB-70642, I01-18635
• IUPAC Name: (3-chloro-2-nitrophenyl)methanol
• Canonical SMILES: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])CO
• InChI Key: ZSMDJSXEFYWXPD-UHFFFAOYSA-N
• Boiling Point: 319.393ºC at 760 mmHg
• Melting Point: 65-69ºC(lit.)
• Flash Point: 146.964ºC
• Density: 1.477g/cm³
• Exact Mass: 187.00400
• Hazard Statements: H302-H411
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36/37
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-Chloro-2-nitrobenzyl alcohol?

The molecular formula is C7H6ClNO3.

What is the molecular weight of 3-Chloro-2-nitrobenzyl alcohol?

The molecular weight is 187.58 g/mol.

What is the IUPAC name of 3-Chloro-2-nitrobenzyl alcohol?

The IUPAC name is (3-chloro-2-nitrophenyl)methanol.

What is the InChI of 3-Chloro-2-nitrobenzyl alcohol?

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

What is the InChIKey of 3-Chloro-2-nitrobenzyl alcohol?

The InChIKey is ZSMDJSXEFYWXPD-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Chloro-2-nitrobenzyl alcohol?

The canonical SMILES is C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])CO.

What is the CAS number of 3-Chloro-2-nitrobenzyl alcohol?

The CAS number is 77158-86-2.

What is the EC number of 3-Chloro-2-nitrobenzyl alcohol?

The EC number is 627-312-5.

Is 3-Chloro-2-nitrobenzyl alcohol a canonicalized compound?

Yes, it is a canonicalized compound.