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Structure

2-Chloro-4-nitrobenzoic acid

CAS
99-60-5
Catalog Number
ACM99605
Category
Main Products
Molecular Weight
201.56
Molecular Formula
C7H4ClNO4

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Specification

Synonyms
EINECS 202-771-0; Benzoic acid,2-chloro-4-nitro; 4-nitro-2-chlorobenzoic acid; 2-Chlor-4-nitro-benzoesaeure; 2-chloro-para-nitrobenzoic acid; Kyselina 2-chloro-4-nitrobenzoova; 2-chloro-4-nitro-benzoic acid;
IUPAC Name
2-Chloro-4-nitrobenzoic acid
Boiling Point
362.2ºC at 760 mmHg
Melting Point
139-143ºC
Flash Point
172.8ºC
Density
1.602 g/cm³
Appearance
light yellow powder
Exact Mass
200.98300
Hazard Statements
Xi:Irritant;
Safety Description
S26-S36
Stability
Stable under normal temperatures and pressures.
WGK Germany
3
What is the molecular formula of 2-Chloro-4-nitrobenzoic acid?

The molecular formula is C7H4ClNO4.

What is the molecular weight of 2-Chloro-4-nitrobenzoic acid?

The molecular weight is 201.56 g/mol.

What is the IUPAC name of 2-Chloro-4-nitrobenzoic acid?

The IUPAC name is 2-chloro-4-nitrobenzoic acid.

What is the InChI of 2-Chloro-4-nitrobenzoic acid?

The InChI is InChI=1S/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11).

What is the InChIKey of 2-Chloro-4-nitrobenzoic acid?

The InChIKey is QAYNSPOKTRVZRC-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Chloro-4-nitrobenzoic acid?

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

What is the CAS number of 2-Chloro-4-nitrobenzoic acid?

The CAS number is 99-60-5.

What is the European Community (EC) number of 2-Chloro-4-nitrobenzoic acid?

The European Community (EC) number is 202-771-0.

How many hydrogen bond acceptor counts are there in 2-Chloro-4-nitrobenzoic acid?

There are 4 hydrogen bond acceptor counts in 2-Chloro-4-nitrobenzoic acid.

Is 2-Chloro-4-nitrobenzoic acid a canonicalized compound?

Yes, 2-Chloro-4-nitrobenzoic acid is a canonicalized compound.

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