 Home > Encyclopedia > 3,5-Dinitrobenzoic acid

3,5-Dinitrobenzoic acid

3,5-Dinitrobenzoic acid structure

CAS No:
99-34-3
Formula:
C7H4N2O6
Chemical Name:
3,5-Dinitrobenzoic acid
Synonyms:
Benzoic acid,3,5-dinitro-;3,5-Dinitrobenzoic acid;3-Carboxy-1,5-dinitrobenzene;DNBA;NSC 8732;64582-71-4;73881-46-6
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

white or off-white solid

3,5-dinitrobenzoic acid is a member of the class of benzoic acids that is benzoic acid in which the hydrogens at positions 3 and 5 are replaced by nitro groups. It is a C-nitro compound and a member of benzoic acids.

3,5-Dinitrobenzoic acid Basic Attributes

Molecular Weight：

212.12

Exact Mass：

212.12

BRN：

1914286

EC Number：

202-751-1

UNII：

4V3F9Q018P

NSC Number：

8732

DSSTox ID：

DTXSID7059195

HScode：

29163900

Characteristics

PSA：

129

XLogP3：

1.69

Appearance：

Yellow solid.

Density：

1.7±0.1 g/cm3

Melting Point：

205 °C

Boiling Point：

395.5±32.0 °C at 760 mmHg

Flash Point：

179.2±13.6 °C

Refractive Index：

1.658

Water Solubility：

H2O: 1350 mg/L (25 ºC);ethanol: soluble 0.5g/10 mL, clear, yellow to very deep greenish-yellow

Storage Conditions：

Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

Safety Information

Packing level：

III

Hazard category：

4.1

Transport codes：

UN1325

wgk germany：

hazard class code：

22-36/37/38-68-11

safety instructions：

26-36/37/39-16

RTECS Number：

DG9140700

Marks：

Xn,F

Stability/Shelf Life：

Stable. Contact with strong bases may lead to fire. Incompatible with strong bases, strong oxidizing agents.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335-H413

GHS Classification：

|Warning|H302 (99.08%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 109 companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

Mobility：

33.88 L/kg

Drug Information

MeSH Entry Terms：

3,5-dinitrobenzoate

3,5-Dinitrobenzoic acid Use and Manufacturing

Methods of Manufacturing

Derived from nitration of benzoic acid. Add sulfuric acid to the dry reaction pot and add benzoic acid with stirring. Heat to 60°C, add fuming nitric acid dropwise, and add dropwise below 85°C. React at 80-85℃ for 1h, at 100℃ for 0.5-1h, and then increase the temperature to 135℃ for 2h. Leave overnight. The reaction solution was put into ice water to precipitate crystals, spin-filtered, and then washed with water and then with 50% ethanol to obtain 3, 5-dinitrobenzoic acid. The yield is 70%.

Uses

3,5-nitrobenzoic acid is an important intermediate for organic synthesis, in the pharmaceutical industry for the synthesis sulfachrysoidine and for the detection of ampicillin.

Manufacturing Info：

Benzoic acid, 3,5-dinitro-: ACTIVE

Computed Properties

Molecular Weight:212.12
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:212.00693585
Monoisotopic Mass:212.00693585
Topological Polar Surface Area:129
Heavy Atom Count:15
Complexity:271
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzoic acid

Nitric acid

Recommended Suppliers of 3,5-Dinitrobenzoic acid

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

3,5-Dinitrobenzoic acid

CAS No.: 99-34-3

Content: 99.00%

Inquiry
Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of fine chemicals,pharmaceutical materials

3,5-Dinitrobenzoic acid

CAS No.: 99-34-3

Grade: industrial Grade

Content: 98%

Inquiry
JOXBIO Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of 5-Aminoisophthalic acid,3,3-Nitrophthalic anhydride,DNBC,Mono-Methyl 5-nitroisophthalate,5-DNBA,5-Dinitrobenzoyl chloride,6-triiodoisophthalic acid (5-Atipa),Formamidine Disulfide Dihydrochloride,5-dinitrobenzoic acid,3-Aminophthalic hydrazide,3-Nitrophthalic acid (3-NPA),3,2-(4-Chlorobenzoyl)benzoic acid,4-Nitrophthalonitrile,4-Nitrophthalimide,3-Nitrophthalonitrile,2-Methyl-4-nitroaniline,5-Dinitrobenzoic acid,DNBA,2-Methyl-6-nitroaniline,Sodium diatrizoate dihydrate,Pyridoxine dipalmitate,4-Nitro-N-methylphthalimide,Dimethyl 5-nitroisophthalate,4-Benzoquinone dioxime,5-DNBC,5-Nitroisophthalic acid,pyridoxine tripalmitate

3,5-Dinitrobenzoic acid

CAS No.: 99-34-3

Grade: Pharmaceutical Grade

Content: 99%

Inquiry
Henan Lihao Chem Plant Limited Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of PVC resin,pvc paste resin,melamine

3,5-Dinitrobenzoic acid 99% kanbei

CAS No.: 99-34-3

Content: 99%

Inquiry
NANTONG REFORM PETRO-CHEMICAL CO.,LTD Contact Supplier

CN
4 YRS

Business licensed Certified factory

Manufactory Supplier of Flavors & Fragrances,Catalyst & Auxiliary,Intermediates,Dyes & Pigments,Inorganic Chemistry,petro chemicals,Surfactant,Food Additives,Water Treatment Chemicals

3,5-Dinitrobenzoic acid

CAS No.: 99-34-3

Grade: Industrial Grade

Content: 99%

Inquiry