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Nitriles, nitro and azo compounds

Nitro benzoate

Also known as Benzoyl nitrate, Benzoylnitrat

CAS 6786-32-9Formula C7H5NO4Molar mass 167.12 g/mol
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Nitro benzoate chemical structure, C7H5NO4, CAS 6786-32-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6786-32-9
Formula
C7H5NO4
Molar mass
167.12 g/mol
HS code
292090
Category
Nitriles, nitro and azo compounds

What is Nitro benzoate?

Plain description, key identifiers and synonyms

Nitro benzoate is a chemical substance with the molecular formula C7H5NO4 and a molar mass of 167.12 g/mol. Its CAS registry number is 6786-32-9.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
nitro benzoate
CAS number
6786-32-9 CAS number cross-checked
Molecular formula
C7H5NO4
InChIKey
JBCXQJHXIYZCNI-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO4/c9-7(12-8(10)11)6-4-2-1-3-5-6/h1-5H
SMILES (canonical and isomeric)
C1=CC=C(C=C1)C(=O)O[N+](=O)[O-]

Synonyms

  • Benzoyl nitrate
  • Benzoylnitrat

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
167.12 g/molcalc.
Exact mass
167.0219 Dacalc.
LogP (octanol/water)
1.04calc.
Topological polar surface area
69.44 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Nitro benzoate suppliers

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Where suppliers are based

1 supplier in 1 country

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Nitro benzoate price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Nitro benzoate is traded under.

HS 2920.90Indicative HS code

Esters, other than thiophosphoric esters (phosphorothioates) and phosphite esters and their salts…

World exports in 2024
$1.05B
+8.0% vs 2023, imports $1.23B
2019 to 2024
Top exporters
  1. China33.4%
  2. Germany18.8%
  3. United States12.4%
Top importers
  1. United States19.2%
  2. Singapore8.9%
  3. South Korea6.9%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Nitro benzoate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nitro benzoate, based on the data on this page

What is Nitro benzoate?

Nitro benzoate is a chemical substance with the molecular formula C7H5NO4 and a molar mass of 167.12 g/mol. Its CAS registry number is 6786-32-9.

What is the CAS number of Nitro benzoate?

The CAS registry number of Nitro benzoate is 6786-32-9.

What is the molecular formula and weight of Nitro benzoate?

The molecular formula of Nitro benzoate is C7H5NO4 and its molar mass is 167.12 g/mol.

What is Nitro benzoate used for?

Known uses and roles of Nitro benzoate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Nitro benzoate hazardous?

No GHS hazard classification for Nitro benzoate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Nitro benzoate?

Nitro benzoate is usually classified under HS code 292090 (Esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nitro benzoate?

CompoundList lists 1 supplier of Nitro benzoate in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Nitro benzoate?

Suppliers quote Nitro benzoate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Nitro benzoate

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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