| Identification | More | [Name]
4-Chlorobenzoic acid | [CAS]
74-11-3 | [Synonyms]
4-CHLOROBENZOIC ACID
AKOS 92635
AKOS BBS-00003713
CHLORODRACYLIC ACID
LABOTEST-BB LT00776185
'LGC' (4004)
PCBA
P-CHLOROBENZOIC ACID
RARECHEM AL BO 0054
4-Chlorbenzoesαure
4-chlorobenzoic
4-chloro-benzoicaci
Acido p-clorobenzoico
acidop-clorobenzoico
Benzoic acid, p-chloro-
benzoicacid,4-chloro-
para-chlorobenzoicacid
p-Carboxychlorobenzene
p-Chlorbenzoic acid
p-chlorbenzoicacid | [EINECS(EC#)]
200-805-9 | [Molecular Formula]
C7H5ClO2 | [MDL Number]
MFCD00002531 | [Molecular Weight]
156.57 | [MOL File]
74-11-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
238-241 °C(lit.)
| [Boiling point ]
274-276 °C
| [bulk density]
350kg/m3 | [density ]
1.540 | [refractive index ]
1.5812 (estimate) | [Fp ]
238 °C
| [storage temp. ]
room temp | [solubility ]
methanol: soluble1%, clear, colorless to faintly yellow | [form ]
Crystalline Powder | [pka]
3.98(at 25℃) | [color ]
White to yellow | [PH]
4.3 (0.08g/l, H2O, 20℃) | [Stability:]
Stable. Combustible. Incompatible with bases, strong oxidizing agents. | [Water Solubility ]
soluble in hot water | [Specific Heat Capacity]
Cp(crystal):1.04235J/(g·K),at 25℃ | [λmax]
284nm(EtOH)(lit.) | [Merck ]
14,2125 | [BRN ]
907196 | [Henry's Law Constant]
2.5×101 mol/(m3Pa) at 25℃, Abraham and Jr. (2019) | [InChI]
1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) | [InChIKey]
XRHGYUZYPHTUJZ-UHFFFAOYSA-N | [SMILES]
OC(=O)c1ccc(Cl)cc1 | [LogP]
2.650 | [CAS DataBase Reference]
74-11-3(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 4-chloro-(74-11-3) | [EPA Substance Registry System]
74-11-3(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P264-P270-P301+P312-P501 | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
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
| [Autoignition Temperature]
545 °C | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29163900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral | [Hazardous Substances Data]
74-11-3(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 1170 mg/kg |
| Hazard Information | Back Directory | [General Description]
Triclinic crystals or light fluffy white powder. | [Reactivity Profile]
P-CHLOROBENZOIC ACID(74-11-3) is incompatible with strong oxidizing agents and strong bases. | [Air & Water Reactions]
Insoluble in water. | [Fire Hazard]
Flash point data for this compound are not available; however, P-CHLOROBENZOIC ACID is probably combustible. | [Chemical Properties]
white to light yellow crystal powder | [Uses]
A benzoic acid analogue that showed antifungal activity against strains of Aspergillus flavus, Aspergillus fumigatus and Aspergillus terreus, causative agents of human aspergillosis, in in vitro bioas
says. It is used as a preservative. | [Definition]
ChEBI: A monochlorobenzoic acid carrying a chloro substituent at position 4. | [Preparation]
4-Chlorobenzoic acid is obtained by oxidation of p-chlorotoluene: add potassium permanganate solution to the mixture of p-chlorotoluene and water in stages. The reaction is refluxed under stirring for 5-6h, then acidified with hydrochloric acid to pH 2, filtered to obtain the crude product, and recrystallized with ethanol to obtain the finished product. | [Synthesis Reference(s)]
Organic Syntheses, Coll. Vol. 2, p. 135, 1943
Synthetic Communications, 25, p. 3695, 1995 DOI: 10.1080/00397919508015507
Tetrahedron Letters, 22, p. 1013, 1981 DOI: 10.1016/S0040-4039(01)82853-7 | [Purification Methods]
Purify it as for m-chlorobenzoic acid. It has also been crystallised from hot water, and from EtOH. [Beilstein 9 IV 973.] |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
|
| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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