ChemicalBook > CAS DataBase List > 4-Chloro-3,5-dinitrobenzoic acid

4-Chloro-3,5-dinitrobenzoic acid

Product Name
4-Chloro-3,5-dinitrobenzoic acid
CAS No.
118-97-8
Chemical Name
4-Chloro-3,5-dinitrobenzoic acid
Synonyms
4-Chloro-3;AKOS 212-81;4-C-3,5-DNBA;CBI-BB ZERO/005300;TIMTEC-BB SBB003176;RARECHEM AL BO 0221;LABOTEST-BB LT00117948;4-chloro-3,5-dinitrobenzoate;4-chloro-3,5-dinitro-benzoicaci;4-CHLORO-3,5-DINITROBENZOIC ACID
CBNumber
CB6753319
Molecular Formula
C7H3ClN2O6
Formula Weight
246.56
MOL File
118-97-8.mol
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4-Chloro-3,5-dinitrobenzoic acid Property

Melting point:
159-162 °C (lit.)
Boiling point:
315°C
Density 
1.9543 (rough estimate)
refractive index 
1.6500 (estimate)
Flash point:
186°C
storage temp. 
Sealed in dry,2-8°C
solubility 
soluble in Methanol
form 
powder to crystal
pka
2?+-.0.10(Predicted)
color 
Light orange to Yellow to Green
BRN 
668253
InChI
InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12)
InChIKey
PCTFIHOVQYYAMH-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=CC([N+]([O-])=O)=C(Cl)C([N+]([O-])=O)=C1
CAS DataBase Reference
118-97-8(CAS DataBase Reference)
EPA Substance Registry System
Benzoic acid, 4-chloro-3,5-dinitro- (118-97-8)
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Safety

Hazard Codes 
Xi,E
Risk Statements 
38-36/37/38-36/38-2
Safety Statements 
28-24/25-22-35-26
WGK Germany 
3
Hazard Note 
Irritant
TSCA 
Yes
HS Code 
29163990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
C38907
Product name
4-Chloro-3,5-dinitrobenzoic acid
Purity
97%
Packaging
25g
Price
$65
Updated
2023/06/20
Sigma-Aldrich
Product number
C38907
Product name
4-Chloro-3,5-dinitrobenzoic acid
Purity
97%
Packaging
100g
Price
$210
Updated
2023/06/20
TCI Chemical
Product number
C0607
Product name
4-Chloro-3,5-dinitrobenzoic Acid
Purity
>98.0%(T)
Packaging
25g
Price
$74
Updated
2024/03/01
TCI Chemical
Product number
C0607
Product name
4-Chloro-3,5-dinitrobenzoic Acid
Purity
>98.0%(T)
Packaging
250g
Price
$471
Updated
2024/03/01
Alfa Aesar
Product number
A12373
Product name
4-Chloro-3,5-dinitrobenzoic acid, 99%
Packaging
25g
Price
$50.65
Updated
2024/03/01
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4-Chloro-3,5-dinitrobenzoic acid Chemical Properties,Usage,Production

Chemical Properties

yellow crystals

Uses

4-Chloro-3,5-dinitrobenzoic-15N2 Acid is an intermediate in synthesizing Lodoxamide-15N2,d2 (L469367), a labelled form of Lodoxamide. It is an antiallergic drug that acts as a mast cell stabilizer. It is effective in the treatment of allergic conjunctivitis and in decreasing vascular permeability.

Hazard

irritant

Synthesis

The synthesis of 4-Chloro-3,5-dinitrobenzoic acid is as follows:
4-chloro-benzoic acid  (20 g, 0.128 mol) was dissolved in H2SO4 (d = 1.835 g/mL, 300 mL) at80 C, and KNO3 (66 g, 0.65 mol) was added. The reaction mixture was heated to 125 C using ahigh-pressure flask and kept for 2 h, after which the reaction was cooled to rt and poured onto ice.The yield of 4-Chloro-3,5-dinitrobenzoic acid was 28 g (89%) .



Purification Methods

Crystallise the acid from EtOH/ H2O, EtOH or *C6H6. The 1:1 naphthalene complex (by fusing various ratios of ingredients and recrystallising from EtOH) has m 122o. [Beilstein 9 H 416, 9 III 1953, 9 IV 1360.]

4-Chloro-3,5-dinitrobenzoic acid Preparation Products And Raw materials

Raw materials

4-Chlorobenzoic acid Nitric acid Sulfuric acid

Preparation Products

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4-Chloro-3,5-dinitrobenzoic acid Suppliers

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View Lastest Price from 4-Chloro-3,5-dinitrobenzoic acid manufacturers

Hebei Mujin Biotechnology Co.,Ltd
Product
4-Chloro-3,5-dinitrobenzoic acid 118-97-8
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
50000KG/month
Release date
2023-10-27
Asia Chem I and E (Jiangsu) Co Ltd
Product
4-Chloro-3,5-dinitrobenzoic acid 118-97-8
Price
US $34.88/Kg/Drum
Min. Order
25Kg/Drum
Purity
99.00%HPLC
Supply Ability
10tons/month
Release date
2021-09-23
Hebei Weibang Biotechnology Co., Ltd
Product
4-Chloro-3,5-dinitrobenzoic acid 118-97-8
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
500000kg
Release date
2024-10-29

118-97-8, 4-Chloro-3,5-dinitrobenzoic acidRelated Search:

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  • C7H3ClN2O6
  • ClC6H2NO22CO2H
  • C7H2ClN2O6
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  • C7
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  • Carbonyl Compounds
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