2-Chloro-5-nitrobenzyl alcohol

• CAS: 80866-80-4
• Catalog Number: ACM80866804
• Category: Alcohols
• Molecular Weight: 187.58
• Molecular Formula: C₇H₄BrF₃OS
• Synonyms: Ambap5882, 2-Chloro-5-nitrobenzyl alcohol, 188964_ALDRICH, ZINC00160595, Benzenemethanol, 2-chloro-5-nitro-, EINECS 279-584-6, CID555722, ST5406675, 80866-80-4
• IUPAC Name: (2-chloro-5-nitrophenyl)methanol
• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])CO)Cl
• InChI Key: NNLQYDLTFRXAKD-UHFFFAOYSA-N
• Boiling Point: 344.1ºC at 760 mmHg
• Melting Point: 74-79ºC
• Flash Point: 161.9ºC
• Density: 1.476g/cm³
• Appearance: beige powder
• EC Number: 279-584-6
• Exact Mass: 187.00400
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: S24/25
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2-Chloro-5-nitrobenzyl alcohol?

The molecular formula of 2-Chloro-5-nitrobenzyl alcohol is C7H6ClNO3.

What is the molecular weight of 2-Chloro-5-nitrobenzyl alcohol?

The molecular weight of 2-Chloro-5-nitrobenzyl alcohol is 187.58 g/mol.

What is the IUPAC name of 2-Chloro-5-nitrobenzyl alcohol?

The IUPAC name of 2-Chloro-5-nitrobenzyl alcohol is (2-chloro-5-nitrophenyl)methanol.

What is the InChI of 2-Chloro-5-nitrobenzyl alcohol?

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

What is the InChIKey of 2-Chloro-5-nitrobenzyl alcohol?

The InChIKey of 2-Chloro-5-nitrobenzyl alcohol is NNLQYDLTFRXAKD-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Chloro-5-nitrobenzyl alcohol?

The Canonical SMILES of 2-Chloro-5-nitrobenzyl alcohol is C1=CC(=C(C=C1[N+](=O)[O-])CO)Cl.

What is the CAS number of 2-Chloro-5-nitrobenzyl alcohol?

The CAS number of 2-Chloro-5-nitrobenzyl alcohol is 80866-80-4.

What is the European Community (EC) number of 2-Chloro-5-nitrobenzyl alcohol?

The European Community (EC) number of 2-Chloro-5-nitrobenzyl alcohol is 279-584-6.

What is the DSSTox Substance ID of 2-Chloro-5-nitrobenzyl alcohol?

The DSSTox Substance ID of 2-Chloro-5-nitrobenzyl alcohol is DTXSID90230758.

Is 2-Chloro-5-nitrobenzyl alcohol a canonicalized compound?

Yes, 2-Chloro-5-nitrobenzyl alcohol is a canonicalized compound.