3,5-Dinitrobenzoic acid

Modify Date: 2026-07-02 10:09:38

3,5-Dinitrobenzoic acid Structure
3,5-Dinitrobenzoic acid structure
 Common Name 3,5-Dinitrobenzoic acid
CAS Number 99-34-3 Molecular Weight 212.117
Density 1.7±0.1 g/cm3 Boiling Point 395.5±32.0 °C at 760 mmHg
Molecular Formula C7H4N2O6 Melting Point 204-206 °C(lit.)
MSDS Chinese USA Flash Point 179.2±13.6 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 3,5-Dinitrobenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.7±0.1 g/cm3
Boiling Point 395.5±32.0 °C at 760 mmHg
Melting Point 204-206 °C(lit.)
Molecular Formula C7H4N2O6
Molecular Weight 212.117
Flash Point 179.2±13.6 °C
Exact Mass 212.006943
PSA 128.94000
LogP 1.69
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.658
InChIKey VYWYYJYRVSBHJQ-UHFFFAOYSA-N
SMILES O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
Stability Stable. Contact with strong bases may lead to fire. Incompatible with strong bases, strong oxidizing agents.
Water Solubility 1350 mg/L (25 ºC)

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG9140700
CHEMICAL NAME :
Benzoic acid, 3,5-dinitro-
CAS REGISTRY NUMBER :
99-34-3
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C7-H4-N2-O6
MOLECULAR WEIGHT :
212.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
100 ug/plate
REFERENCE :
GDIKAN Gifu Daigaku Igakubu Kiyo. Papers of the Gifu University School of Medicine. (Gifu Daigaku Igakubu, 40 Tsukasa-machi, Gifu 500, Japan) V.15- 1967- Volume(issue)/page/year: 29,278,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7965 No. of Facilities: 25 (estimated) No. of Industries: 2 No. of Occupations: 6 No. of Employees: 4376 (estimated) No. of Female Employees: 729 (estimated)

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319-H335-H413
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes F:Flammable;Xn:Harmful;
Risk Phrases R11;R22;R36/37/38;R68
Safety Phrases S26-S36/37/39-S16
RIDADR UN1325
WGK Germany 3
RTECS DG9140700
Packaging Group III
Hazard Class 4.1
HS Code 2916399090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles29

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

A method for rapid screening of ketone biotransformations: detection of whole cell Baeyer-Villiger monooxygenase activity.

Enzyme Microb. Technol. 50(2) , 101-6, (2012)

A method for screening of ketone biotransformations was developed and applied to the identification of Baeyer-Villiger monooxygenase (BVMO) activity. The method was based on the formation of a purple ...

Electronic, infrared, and 1HNMR spectral studies of the novel charge-transfer complexes of o-tolidine and p-toluidine with alternation pi-acceptors (3,5-dinitro benzoic acid and 2,6-dichloroquinone-4-chloroimide) in CHCl3 solvent.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 64(3) , 778-88, (2006)

The rapid interaction between o-tolidine and p-toluidine (pi-donors) with the pi-acceptors, e.g., 3,5-dinitrobenzoic acid (DNB) and 2,6-dichloroquinone-4-chloroimide (DCQ) results in the formation of ...

Method development in quantitative NMR towards metrologically traceable organic certified reference materials used as (31)P qNMR standards.

Anal. Bioanal. Chem 407 , 3115-3123, (2015)

Quantitative nuclear magnetic resonance (qNMR) spectroscopy is employed by an increasing number of analytical and industrial laboratories for the assignment of content and quantitative determination o...

 3,5-Dinitrobenzoic acidBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Inhibition of N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expr...
Source: ChEMBL
Target: ATP-dependent Clp protease proteolytic subunit
External Id: CHEMBL4404284
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

3,5-Dinitro Benzoic Acid
Dinitrobenzoic acid
WNR CVQ ENW
Benzoic acid,3,5-dinitro
3,5-di-NO2PhCOOH
DNBA
3-Carboxy-1,5-dinitrobenzene
EINECS 202-751-1
3,5-Dinitro-benzoic acid
MFCD00007253

 3,5-Dinitrobenzoic acid | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the upstream materials of 3,5-Dinitrobenzoic acid?
A: Related upstream materials(CAS) of 3,5-Dinitrobenzoic acid: 65-85-0;2702-58-1;618-71-3;54619-90-8;79239-16-0;109-73-9;879544-86-2;121-92-6;618-85-9.
Q: What is the SMILES notation of 3,5-Dinitrobenzoic acid?
A: SMILES notation of 3,5-Dinitrobenzoic acid is O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
Q: What is the boiling point of 3,5-Dinitrobenzoic acid?
A: Boiling point of 3,5-Dinitrobenzoic acid is 395.5±32.0 °C at 760 mmHg.
Q: What is the safety information for 3,5-Dinitrobenzoic acid?
A: Safety information for 3,5-Dinitrobenzoic acid: S26-S36/37/39-S16.
Q: How is the water solubility of 3,5-Dinitrobenzoic acid?
A: Water solubility of 3,5-Dinitrobenzoic acid: 1350 mg/L (25 ºC).
Q: What is the melting point of 3,5-Dinitrobenzoic acid?
A: Melting point of 3,5-Dinitrobenzoic acid is 204-206 °C(lit.).
Q: What is the LogP of 3,5-Dinitrobenzoic acid?
A: LogP of 3,5-Dinitrobenzoic acid is 1.69.
Q: What is the InChIKey of 3,5-Dinitrobenzoic acid?
A: InChIKey of 3,5-Dinitrobenzoic acid is VYWYYJYRVSBHJQ-UHFFFAOYSA-N.
Q: What is the molecular weight of 3,5-Dinitrobenzoic acid?
A: Molecular weight of 3,5-Dinitrobenzoic acid is 212.117.
Q: What English synonyms does 3,5-Dinitrobenzoic acid have?
A: English synonyms of 3,5-Dinitrobenzoic acid: 3,5-Dinitro Benzoic Acid, Dinitrobenzoic acid, WNR CVQ ENW, Benzoic acid,3,5-dinitro, 3,5-di-NO2PhCOOH, DNBA, 3-Carboxy-1,5-dinitrobenzene, EINECS 202-751-1, 3,5-Dinitro-benzoic acid, MFCD00007253.

 3,5-Dinitrobenzoic acidfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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Chemsrc provides 3,5-Dinitrobenzoic acid(CAS#:99-34-3) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of 3,5-Dinitrobenzoic acid are included as well.>> amp version: 3,5-Dinitrobenzoic acid

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