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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 |
Conditions | Yield |
---|---|
With cobalt(II) naphthenate; Diisobutyl adipate at 78℃; for 2h; Temperature; | 97% |
Conditions | Yield |
---|---|
With water; bromine; sodium hydroxide at 0 - 20℃; for 2h; | 78.9% |
Conditions | Yield |
---|---|
With calcium hypochlorite; montmorillonite K-10 In chloroform at 20℃; for 3.3h; | A 68% B 2.3% |
Conditions | Yield |
---|---|
With water; palladium diacetate; triethylamine; triphenylphosphine In 1,4-dioxane at 110℃; under 11251.1 Torr; for 2h; Flow reactor; | 48% |
1,2,4,5-tetrachlorobenzene
carbon dioxide
A
2,4,5-trichlorobenzoic acid
B
chlorobenzene
C
benzene
D
2,5-dichlorobenzoic acid
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% |
Conditions | Yield |
---|---|
With hydrogenchloride; potassium chlorate | |
With chloroperoxidase; dihydrogen peroxide In water pH=3.5; Chlorination; | 0.2% |
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 |
2,5-dichloro-benzaldehyde
A
2,5-dichlorobenzyl alcohol
B
2,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With potassium hydroxide | |
With sodium amalgam |
2,5-dichlorotoluene
2,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With potassium permanganate | |
With nitric acid at 140℃; im Druckrohr; |
2,5-dichlorobenzonitrile
2,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
With hydrogenchloride at 180℃; | |
With potassium hydroxide In ethylene glycol at 170℃; for 7h; |
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 (CAS NO.50-79-3) is used as an organic synthesis intermediate for synthetizing herbicide chloramben and dinoben.
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.
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. |
Reported in EPA TSCA Inventory.
Safety Information about 2,5-Dichlorobenzoic acid (CAS NO.50-79-3):
Hazard Codes: 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
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.