4-Chlorobenzaldehyde CAS 104-88-1
Introduction：Basic information about 4-Chlorobenzaldehyde CAS 104-88-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Chlorobenzaldehyde Basic information
| Product Name: | 4-Chlorobenzaldehyde |
| Synonyms: | p-chlorobenzenecarboxaldehyde;P-CHLOROBENZALDEHYDE;PCAD;Benzaldehyde,4-chloro-;benzaldehyde,-chloro-;p-chloro-benzaldehyd;p-Chlorobenzaldehyde 4-Chlorobenzaldehyde;4-CHLOROBENZALDEHYDE 98% (GC) |
| CAS: | 104-88-1 |
| MF: | C7H5ClO |
| MW: | 140.57 |
| EINECS: | 203-247-4 |
| Product Categories: | 1;Benzaldehyde;FINE Chemical & INTERMEDIATES;Aldehydes;C7;Carbonyl Compounds;Aromatic Aldehydes & Derivatives (substituted);intermediate;Pesticides intermediate;Pyridines ,Halogenated Heterocycles;104-88-1;bc0001 |
| Mol File: | 104-88-1.mol |
4-Chlorobenzaldehyde Chemical Properties
| Melting point | 46 °C |
| Boiling point | 213-214℃ |
| density | 1.196 |
| vapor density | 0.6 (vs air) |
| vapor pressure | 8.75 atm ( 21 °C) |
| refractive index | 1.5550 (estimate) |
| Fp | 52 °F |
| storage temp. | Store below +30°C. |
| solubility | 935mg/l |
| form | Liquid |
| color | White to pale yellow |
| Water Solubility | 935 mg/L (20 ºC) |
| Sensitive | Air Sensitive |
| BRN | 385858 |
| Dielectric constant | 72（0.0℃） |
| Stability: | Stable, but air and light-sensitive. Incompatible with strong bases, strong reducing agents, strong oxidizing agents. |
| InChI | 1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H |
| InChIKey | AVPYQKSLYISFPO-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccc(Cl)cc1 |
| LogP | 2.34 at 25℃ and pH7 |
| CAS DataBase Reference | 104-88-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzaldehyde, 4-chloro-(104-88-1) |
| EPA Substance Registry System | p-Chlorobenzaldehyde (104-88-1) |
Safety Information
| Hazard Codes | F,C,N,Xn,Xi |
| Risk Statements | 22-36/37/38-51/53-36/38 |
| Safety Statements | 26-61-37/39-36 |
| RIDADR | UN 1219 3/PG 2 |
| WGK Germany | 2 |
| RTECS | CU5076000 |
| F | 8-9 |
| Autoignition Temperature | 302 °C |
| TSCA | TSCA listed |
| HazardClass | 9 |
| PackingGroup | III |
| HS Code | 29130000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 2 Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 |
| Toxicity | LD50 orally in Rabbit: 840 mg/kg LD50 dermal Rat 5000 mg/kg |
| Chemical Properties | 4-chlorobenzaldehyde appears as colourless to light yellow crystalline powder. Insoluble in water, easily soluble in ethanol, ether, benzene, soluble in water, acetone. Can be volatilized with water vapor. It can produced by the oxidation of 4-chlorobenzyl alcohol. 4-chlorobenzaldehyde is the intermediate of fungicide tebuconazole and plant growth regulator uniconazole. |
| Uses | 4-Chlorobenzaldehyde is used as an intermediate for the manufacture of dyestuffs, optical brighteners, pharmaceuticals, agricultural chemicals and metal finishing products. |
| Preparation | 4-Chlorobenzaldehyde can be obtained by chlorinated hydrolysis of p-chlorotoluene: add p-chlorotoluene and phosphorus trichloride to the reaction pot, raise the temperature to 155°C under light and pass chlorine. Control the temperature at 160-170℃ and pass chlorine to the calculated amount to obtain the chlorination solution. Add it to concentrated sulfuric acid with stirring, and stir for 5h at room temperature. let it stand and stratify, take the lower layer into ice water to crystallize, and filter it when it is cold to below 5℃. The filter cake was washed with ice water to obtain the crude product, distilled under reduced pressure and collected 108-111℃ (3.33kPa) fraction to obtain p-chlorobenzaldehyde. |
| Synthesis Reference(s) | Synthetic Communications, 26, p. 1, 1996 DOI: 10.1080/00397919608003856 Tetrahedron Letters, 43, p. 1395, 2002 DOI: 10.1016/S0040-4039(02)00027-8 |
| General Description | Colorless to yellow powder or white crystalline solid. Pungent odor. |
| Air & Water Reactions | 4-Chlorobenzaldehyde is sensitive to exposure to air. Insoluble in water. |
| Reactivity Profile | 4-Chlorobenzaldehyde is sensitive to exposure to air. 4-Chlorobenzaldehyde is also sensitive to light. REACTIVITY: 4-Chlorobenzaldehyde is incompatible with strong bases, strong oxidizers and strong reducing agents. |
| Fire Hazard | 4-Chlorobenzaldehyde is combustible. |
| Purification Methods | Crystallise it from EtOH/water (3:1), then sublime it twice at ~50o/2mm. [Beilstein 7 H 235, 7 IV 568.] |
4-Chlorobenzaldehyde Preparation Products And Raw materials
| Raw materials | Chlorine-->Manganese dioxide-->ABIN-->4-Chlorotoluene-->4-Chlorobenzyl chloride-->Metallic oxides-->BENZAL CHLORIDE |
| Preparation Products | 2,4-Dinitroaniline-->α-phenyl-2-p-tolylethylamine-->Propionamide-->Boron nitride-->4-Chloro-3-nitrobenzaldehyde-->Chlorfenapyr-->3-(4-CHLORO-PHENYL)-PROPIONALDEHYDE-->Dodecylamine-->Ammonium L-tartrate-->Robenidine hydrochloride-->Dithizone-->Aceglutamide-->2,5-Dihydro-2,5-dimethoxyfuran-->Felbamate-->Homopiperonylamine-->UNICONAZOLE-->Tetrabutyl titanate-->Acid Blue 83-->1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium Hexafluorophosphate-->(4-CHLORO-BENZYL)-METHYL-AMINE-->Baclofen-->Synthetic greasing agent-->4-CHLORO-ALPHA-(METHYLAMINO)BENZENE ACETIC ACID-->2-Amino-2-phenylacetic acid-->NEOCUPFERRON-->AMMONIUM O,O-DIISOPROPYLTHIOPHOSPHATE-->Cyromazine-->4-Chlorobenzyl pinacolone-->Anilinoacetic acid-->Chlormezanone-->1,3-diisopropyl-2-isothiocyanato-5-phenoxybenzene-->4-Chlorocinnamic acid-->1-amino-9,10-dihydro-9,10-dioxo-2-anthracenecarboxylicaci-->Uniconazole-->5-chloro-alpha,alpha-bis(3,5-dichloro-2-hydroxyphenyl)-2-toluenesulfonic-->2-(4-CHLOROPHENYL)-3-METHYL-TETRAHYDRO-1,3-THIAZINE-4-ONE-->N-[(4-CHLOROPHENYL)METHYLENE]METHANAMINE-->Oxcarbazepine-->3-ETHYLSULFONYL-2-PYRIDINESULFONAMIDE |
