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Name	2,5-Dichlorobenzoic acid	EINECS	200-065-7
CAS No.	50-79-3	Density	1.518 g/cm³
PSA	37.30000	LogP	2.69160
Solubility	<0.1 g/100 mL at 19 °C in water	Melting Point	151-154 °C(lit.)
Formula	C₇H₄Cl₂O₂	Boiling Point	301 °C at 760 mmHg
Molecular Weight	191.014	Flash Point	135.8 °C
Transport Information	N/A	Appearance	white crystalline powder
Safety	26-36-24/25	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	2,5-Dichlorobenzoate;2, 5-Dichlorobenzoic acid;Benzoic acid, 2,5-dichloro-;	Article Data	40

2,5-Dichlorobenzoic acid Synthetic route

: 3032-32-4
3,6-dichloroanthranilic acid

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With cobalt(II) naphthenate; Diisobutyl adipate at 78℃; for 2h; Temperature;	97%

: 2476-37-1
2,5-dichloroacetophenone

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With water; bromine; sodium hydroxide at 0 - 20℃; for 2h;	78.9%

: 80959-18-8
2,4-dichlorobenzaldoxime

A: 874-42-0
2,4-dichlorobenzaldeyhde

B: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With calcium hypochlorite; montmorillonite K-10 In chloroform at 20℃; for 3.3h;	A 68% B 2.3%

: 201230-82-2
carbon monoxide

: 29682-41-5
2,5-dichloroiodobenzene

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With water; palladium diacetate; triethylamine; triphenylphosphine In 1,4-dioxane at 110℃; under 11251.1 Torr; for 2h; Flow reactor;	48%

: 95-94-3
1,2,4,5-tetrachlorobenzene

: 124-38-9
carbon dioxide

A: 50-82-8
2,4,5-trichlorobenzoic acid

B: 108-90-7
chlorobenzene

C: 71-43-2
benzene

D: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With tetrabutylammomium bromide In N,N-dimethyl-formamide at -5 - 0℃; Dehalogenation; Carboxylation; Electrochemical reaction; Further byproducts given;	A 14% B 4% C 2% D 6%

...Expand

: 65-85-0
benzoic acid

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride; potassium chlorate
With chloroperoxidase; dihydrogen peroxide In water pH=3.5; Chlorination;	0.2%

: 95-82-9
2,5 dichloroaniline

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
ueber das Nitril durch Behandeln mit alkoh. Kalilauge;
Multi-step reaction with 2 steps 1: concentrated sulfuric acid / Diazotization.Behandlung der Loesung des Diazoniumsulfats mit Kaliumkupfercyanuer 2: fuming hydrochloric acid / 180 °C View Scheme

: 6361-23-5
2,5-dichloro-benzaldehyde

A: 34145-05-6
2,5-dichlorobenzyl alcohol

B: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide
With sodium amalgam

: 19398-61-9
2,5-dichlorotoluene

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With potassium permanganate
With nitric acid at 140℃; im Druckrohr;

: 21663-61-6
2,5-dichlorobenzonitrile

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride at 180℃;
With potassium hydroxide In ethylene glycol at 170℃; for 7h;

2,5-Dichlorobenzoic acid Chemical Properties

IUPAC Name: 2,5-Dichlorobenzoic acid
Synonyms of 2,5-Dichlorobenzoic acid (CAS NO.50-79-3): Benzoic acid, 2,5-dichloro-
CAS NO: 50-79-3
Molecular Formula: C₇H₄Cl₂O₂
Molecular Weight: 191.01
Molecular Structure:
EINECS: 200-065-7
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 37.3 Å²
Index of Refraction: 1.599
Molar Refractivity: 42.973 cm³
Molar Volume: 125.864 cm³
Surface Tension: 53.966 dyne/cm
Density: 1.518 g/cm³
Flash Point: 135.84 °C
Enthalpy of Vaporization: 57.14 kJ/mol
Boiling Point: 300.999 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Melting point: 152-157°C
Water solubility: <0.1 g/100 mL at 19°C
Stability: Stable.
Appearance: white crystalline powder
SMILES: O=C(O)c1cc(Cl)ccc1Cl
InChI: InChI=1/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey: QVTQYSFCFOGITD-UHFFFAOYAT
Std. InChI: InChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
Std. InChIKey: QVTQYSFCFOGITD-UHFFFAOYSA-N
Product Categories of 2,5-Dichlorobenzoic acid (CAS NO.50-79-3): Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Phenylacetic acid;Organic acids;Acids & Esters;Chlorine Compounds;DAlphabetic;Alpha sort;D;DIA - DIC;Pesticides&Metabolites;C7;Carbonyl Compounds;Carboxylic Acids

2,5-Dichlorobenzoic acid Uses

2,5-Dichlorobenzoic acid (CAS NO.50-79-3) is used as an organic synthesis intermediate for synthetizing herbicide chloramben and dinoben.

2,5-Dichlorobenzoic acid Production

1. First, dichlorobenzene reacts with phosgene, 2,5-DICHLOROBENZOIC ACID (50-79-3) is formed from the obtained 2,5-dichloro-benzoyl chloride by hydration.
2. Paradichlorobenzol reacts with paraformaldehyde, than oxidation by potassium permanganate to form 2,5-DICHLOROBENZOIC ACID (50-79-3).
3. Use 1,2,4-trichlorobenzene as raw material to form 2,5-dichlorobenzonitrile, then 2,5-DICHLOROBENZOIC ACID (50-79-3) is synthesized from 2,5-dichlorobenzonitrile by alkaline hydrolysis.
4. 2,5-DICHLOROBENZOIC ACID (50-79-3) is synthesized from benzoyl chloride by chlorination and hydration.
5. Use paradichlorobenzene carbon tetrachloride as raw material.

2,5-Dichlorobenzoic acid Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	237mg/kg (237mg/kg)	BEHAVIORAL: REGIDITY BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.
mouse	LD50	subcutaneous	1200mg/kg (1200mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Biochemical Pharmacology. Vol. 13, Pg. 1538, 1964.

2,5-Dichlorobenzoic acid Consensus Reports

Reported in EPA TSCA Inventory.

2,5-Dichlorobenzoic acid Safety Profile

Safety Information about 2,5-Dichlorobenzoic acid (CAS NO.50-79-3):
Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S24/25: Avoid contact with skin and eyes.
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: DG6825000
HS Code: 29163900

2,5-Dichlorobenzoic acid Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.

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