3,5-Dinitrobenzoic acid

Names

[ CAS No. ]:
99-34-3

[ Name ]:
3,5-Dinitrobenzoic acid

[Synonym ]:
Benzoic acid, 3,5-dinitro-
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

Chemical & Physical Properties

[ 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

[ 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

Click to get detail MSDS

Toxicological Information

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

[ Symbol ]:

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ 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%

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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...