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3,5-Dinitrobenzoic acid

Name: 3,5-Dinitrobenzoic acid
Brand: ALDRICH

99%

Synonym(s):

DNBA

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About This Item

Linear Formula:

(O₂N)₂C₆H₃CO₂H

CAS Number:

99-34-3

Molecular Weight:

212.12

NACRES:

NA.22

PubChem Substance ID:

24847456

eCl@ss:

39032062

UNSPSC Code:

12352100

EC Number:

202-751-1

MDL number:

MFCD00007253

Beilstein/REAXYS Number:

1914286

Assay:

99%

Form:

solid

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Properties

Quality Segment

200

assay

99%

form

solid

mp

204-206 °C (lit.)

solubility

ethanol: soluble 0.5 g/10 mL, clear, yellow to very deep greenish-yellow

functional group

carboxylic acid, nitro

SMILES string

OC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O

InChI

1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)

InChI key

VYWYYJYRVSBHJQ-UHFFFAOYSA-N

Description

General description

3,5-Dinitrobenzoic acid forms an adduct with 3,5-dimethylpyridine and the crystal structure of adduct has been studied at room temperature and 80K for both undeuterated and deuterated compounds. It forms 1:1 cocrystal with analgesic drug, ethenzamide and exists in two polymorphic forms.

Application

3,5-Dinitrobenzoic acid was used in the derivatization of resins and determination of ampicillin.

pictograms

GHS07

signalword

Warning

hcodes

H302,H315,H319,H335,H413

pcodes

P261 - P264 - P273 - P301 + P312 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 4 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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