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| CAS No.: | 74-11-3 |
|---|---|
| Name: | 4-Chlorobenzoic acid |
| Article Data: | 989 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5ClO2 |
| Molecular Weight: | 156.569 |
| Synonyms: | Benzoicacid, p-chloro- (7CI,8CI);4-CBA;Mycosid;NSC 143358;NSC 32738;NSC 8444;p-Carboxychlorobenzene;p-Chlorbenzoic acid;p-Chlorobenzoic acid; |
| EINECS: | 200-805-9 |
| Density: | 1.374 g/cm3 |
| Melting Point: | 238-241 °C |
| Boiling Point: | 287.2 °C at 760 mmHg |
| Flash Point: | 127.5 °C |
| Solubility: | soluble in hot water |
| Appearance: | white to off-white crystalline flakes |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 37.30000 |
| LogP: | 2.03820 |
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| Conditions | Yield |
|---|---|
| With sodium perborate In acetic acid for 1.5h; steam bath; | 100% |
| With hydrogen bromide; oxygen In acetonitrile at 20℃; for 5h; UV-irradiation; | 100% |
| With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry; | 99% |
- 67483-73-2
benzyl p-chlorobenzoate
- 74-11-3
para-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| With hydrogen In ethyl acetate at 60℃; for 24h; Reagent/catalyst; | 100% |
| With methanol; sodium tetrahydroborate; nickel(II) chloride hexahydrate at 20℃; for 0.0833333h; chemoselective reaction; | 87% |
| With ammonium cerium(IV) nitrate In water; acetonitrile for 6h; Mechanism; Heating; other esters react in the same way; | 65% |
- 15784-28-8
allyl 4-chlorobenzoate
- 74-11-3
para-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| With formic acid; triethylamine In acetonitrile at 80℃; for 1h; Inert atmosphere; | 100% |
| With toluene-4-sulfonic acid for 0.0666667h; microwave irradiation; | 86% |
| With iodine; dimethyl sulfoxide for 0.2h; Heating; | 76% |
| With ammonium cerium(IV) nitrate In water; acetonitrile for 6h; Mechanism; Heating; other esters react in the same way; | 74% |
| Conditions | Yield |
|---|---|
| With bromine; oxygen In acetonitrile for 10h; Irradiation; | 100% |
| With periodic acid; tripropylammonium fluorochromate (VI) In acetonitrile at 0℃; | 99% |
| With silica-supported Jones reagent In dichloromethane for 0.035h; | 99.4% |
| Conditions | Yield |
|---|---|
| With methanol; sodium tetrahydroborate In tetrahydrofuran for 1h; Ambient temperature; | A 94% B 100% |
- 79606-45-4
4-chloro-N,N-diisopropylbenzamide
- 74-11-3
para-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; zinc(II) chloride at 160℃; for 72h; | 100% |
| Conditions | Yield |
|---|---|
| With Oxone; potassium bromide In dichloromethane; water at 20℃; for 24h; visible light irradiation; | 99% |
| With ruthenium trichloride; sodium hypochlorite; tetrabutylammomium bromide In 1,2-dichloro-ethane at 25℃; for 2h; | 98% |
| With ruthenium trichloride; sodium hypochlorite; tetrabutylammomium bromide In 1,2-dichloro-ethane at 25℃; for 2h; Rate constant; Mechanism; pH 9: other methylbenzenes; var. concentration of aq. NaOCl, ruthenium and tetrabutylammonium bromide; | 98% |
| Conditions | Yield |
|---|---|
| With iodine; aluminium In acetonitrile at 80℃; for 18h; | 99% |
| With potassium hydroxide In toluene at 150℃; for 0.166667h; microwave irradiation; | 94% |
| With sodium hydroxide In N,N-dimethyl-formamide for 0.5h; Ambient temperature; | 93% |
| Conditions | Yield |
|---|---|
| With amphiphilic resin-supported phosphine-palladium; water; potassium carbonate at 25℃; under 760 Torr; for 12h; hydroxycarbonylation; | 99% |
| With dichloro bis(acetonitrile) palladium(II); potassium hydroxide; sodium dodecyl-sulfate In water; butan-1-ol at 70℃; under 760 Torr; for 4h; | 94% |
| With potassium carbonate; palladium diacetate In water; N,N-dimethyl-formamide at 25℃; under 760 Torr; for 2h; | 92% |
- 106-43-4
para-chlorotoluene
- 143435-52-3
1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione
- 74-11-3
para-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| With acetic acid | 99% |
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Chemistry
IUPAC Name: 4-Chlorobenzoic acid
Synonyms of 4-Chlorobenzoic acid (CAS NO.74-11-3): 4-Chlorobenzoic acid ; Acido p-clorobenzoico ; Benzoic acid, 4-chloro- ; Benzoic acid, p-chloro- ; Chlorodracylic acid ; p-Carboxychlorobenzene ; p-Chlorbenzoic acid ; p-Chlorobenzoic acid ; para-Chlorobenzoic acid
CAS NO: 74-11-3
Molecular Formula: C7H5ClO2
Molecular Weight: 156.57
Molecular Structure: .gif)
EINECS : 200-805-9
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.583
Molar Refractivity: 38.07 cm3
Molar Volume: 113.9 cm3
Surface Tension: 51.5 dyne/cm
Density: 1.374 g/cm3
Flash Point: 127.5 °C
Enthalpy of Vaporization: 55.6 kJ/mol
Boiling Point: 287.2 °C at 760 mmHg
Vapour Pressure: 0.00117 mmHg at 25°C
Melting Point: 238-241 °C(lit.)
Water Solubility: soluble in hot water
Stability: Stable. Combustible. Incompatible with bases, strong oxidizing agents.
Appearance: Triclinic crystals or light fluffy white powder.
Product Categories: Benzoic acid;Organic acids;Absolute Configuration Determination (Exciton Chirality CD Method);Analytical Chemistry;Enantiomer Excess & Absolute Configuration Determination;Exciton Chirality CD Method (for Hydroxyl Groups);Alpha sort;C;CAlphabetic;CH;Pesticides&Metabolites;C7;Carbonyl Compounds;Carboxylic Acids
Uses
4-Chlorobenzoic acid (CAS NO.74-11-3) is used as dyes, pesticides, medicine intermediates.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 1170mg/kg (1170mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 724, 1975. | |
| rat | LD50 | intraperitoneal | 1gm/kg (1000mg/kg) | Bollettino Chimico Farmaceutico. Vol. 112, Pg. 53, 1973. | |
| rat | LD50 | oral | 1170mg/kg (1170mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 21, Pg. 794, 1973. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
The Hazard Codes: 
Xn
Risk Statements: 22-36/37/38
R22: 4-Chlorobenzoic acid (CAS NO.74-11-3) is harmful if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
S37/39: Wear suitable gloves and eye/face protection
WGK Germany: 2
RTECS: DG4976010
HS Code: 29163900