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4-Chloro-3,5-dinitrobenzoic acid

4-Chloro-3,5-dinitrobenzoic acid Structure
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
Molecular Weight:
246.56
MOL File:
118-97-8.mol
MSDS File:
SDS
Modify Date:
2024/7/26 17:49:17

4-Chloro-3,5-dinitrobenzoic acid Properties

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)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
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
NFPA 704
0
2 0

4-Chloro-3,5-dinitrobenzoic acid price More Price(9)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich(India) C38907 4-Chloro-3,5-dinitrobenzoic acid 97% 118-97-8 25G ₹3637.2 2022-06-14 Buy
TCI Chemicals (India) C0607 4-Chloro-3,5-dinitrobenzoic Acid 118-97-8 25G ₹7000 2022-05-26 Buy
ALFA India ALF-A12373-36 4-Chloro-3,5-dinitrobenzoic acid, 97% 118-97-8 500g ₹22413 2022-05-26 Buy
ALFA India ALF-A12373-22 4-Chloro-3,5-dinitrobenzoic acid, 97% 118-97-8 100g ₹6337 2022-05-26 Buy
TCI Chemicals (India) C0607 4-Chloro-3,5-dinitrobenzoic Acid 118-97-8 250G ₹40000 2022-05-26 Buy
Product number Packaging Price Buy
C38907 25G ₹3637.2 Buy
C0607 25G ₹7000 Buy
ALF-A12373-36 500g ₹22413 Buy
ALF-A12373-22 100g ₹6337 Buy
C0607 250G ₹40000 Buy

4-Chloro-3,5-dinitrobenzoic acid Chemical Properties,Uses,Production

Chemical Properties

yellow crystals

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%) .
synthesis of 4-Chloro-3,5-dinitrobenzoic acid.png


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.]

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TIMTEC-BB SBB003176 CBI-BB ZERO/005300 4-chloro-3,5-dinitrobenzoate 4-chloro-3,5-dinitro-benzoicaci RARECHEM AL BO 0221 LABOTEST-BB LT00117948 AKOS 212-81 3,5-DINITRO-4-CHLOROBENZOIC ACID 4-CHLORO-3,5-DINITROBENZOIC ACID 4-Chloro-3,5-dinitrobenzoic acid,99% 4-CHLORO-3,5-DINITROBENZOIC ACID FOR SYN 4-chloro -3,5-twoNitrobenzoic Acid 4-Chloro-3,5-dinitrobenzoic acid, 98%+ 4-Chloro-3 4-C-3,5-DNBA 4-Chloro-3,5-dinitrobenzoic Acid > Benzoic acid, 4-chloro-3,5-dinitro- 4-Chloro-3,5-dinitrobenzoic acid ISO 9001:2015 REACH 4-Chloro-3,5-dinitrobenzoic acid, 97%, 118-97-8 C7H3ClN2O6 ClC6H2NO22CO2H C7H2ClN2O6 Organic Building Blocks C7 Carboxylic Acids Carbonyl Compounds Building Blocks Organic acids C7 Carbonyl Compounds Carboxylic Acids 1