4-Chloroacetophenone
4'-Chloroacetophenone
CAS: 99-91-2
Molecular Formula: C8H7ClO
4-Chloroacetophenone - Names and Identifiers
| Name | 4'-Chloroacetophenone |
| Synonyms | 4-Chloroacetophenone p-acetylchlorobenzene 4'-Chloroacetophenone 4-acetylchlorobenzene 4'-chloro-acetophenon 4-Chloro Acetophenone 1-(4-chlorophenyl)-ethanon Acetophenone, 4'-chloro- methylp-chlorophenylketone 1-(4-Chlorophenyl)ethanone p-chlorophenylmethylketone methyl4-chlorophenylketone 4-chloroacetophenone[qr] 4-chlorophenylmethylketone Ethanone,1-(4-chlorophenyl)- 1-(4-chlorophenyl)-ethanon acetophenone,4-chloro-[qr] methylp-chlorophenylketone[qr] ethanone,1-(4-chlorophenyl)-[qr] 1-(4-chlorophenyl)ethanone[qr] |
| CAS | 99-91-2 |
| EINECS | 202-800-7 |
| InChI | InChI=1/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3 |
4-Chloroacetophenone - Physico-chemical Properties
| Molecular Formula | C8H7ClO |
| Molar Mass | 154.59 |
| Density | 1.192 g/mL at 25 °C (lit.) |
| Melting Point | 14-18 °C (lit.) |
| Boling Point | 232 °C (lit.) |
| Flash Point | 194°F |
| Water Solubility | 111 mg/L (25 ºC) |
| Solubility | 111mg/l (slow decomposition) |
| Vapor Presure | 8 mm Hg ( 90 °C) |
| Appearance | Liquid After Melting |
| Color | Clear colorless to yellow |
| Merck | 14,2116 |
| BRN | 386014 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.554(lit.) |
| Physical and Chemical Properties | White liquid at room temperature. Melting point 20-21 ℃, boiling point 237 ℃,106 ℃(1.33kPa),99 ℃(0.93kPa), relative density 1.1922(20 ℃), refractive index 1.5550, flash point 90 ℃. Insoluble in water, soluble in organic solvents. |
| Use | Used as fluorescent whitening agent, pharmaceutical and intermediate raw materials |
4-Chloroacetophenone - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R26 - Very Toxic by inhalation R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R36/37/38 - Irritating to eyes, respiratory system and skin. R36/37 - Irritating to eyes and respiratory system. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S28A - S36 - Wear suitable protective clothing. |
| UN IDs | UN 3416 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | KM5600000 |
| TSCA | Yes |
| HS Code | 29147090 |
| Hazard Class | 6.1 |
| Packing Group | II |
4-Chloroacetophenone - Nature
Open Data Verified Data
white liquid at room temperature. Melting point 20~21 ℃, boiling point 237 ℃, relative density 1. 1922(20 ℃), refractive index 1.555, flash point 90 ℃. Insoluble in water, soluble in organic solvents.
Last Update：2024-01-02 23:10:35
4-Chloroacetophenone - Preparation Method
Open Data Verified Data
from the condensation of chlorobenzene with acetic anhydride in the presence of aluminum trichloride.
Last Update：2022-01-01 10:42:38
4-Chloroacetophenone - Use
Open Data Verified Data
This product is used for the synthesis of Mandelic Acid, fluorescent whitening agent AD and other fine chemicals.
Last Update：2022-01-01 10:42:37
4-Chloroacetophenone - Safety
Open Data Verified Data
This product is toxic and strongly irritates eyes, nose and throat. Should wear protective glasses, protective clothing, protective gloves. Combustion produces irritant, corrosive/toxic gases. Packed in iron drum, 200kg/barrel.
Last Update：2022-01-01 10:42:38
4-Chloroacetophenone - Reference Information
| LogP | 2.32 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | This product is used for the synthesis of Mandelic Acid, fluorescent whitening agent AD and other fine chemicals. used as raw materials for fluorescent brighteners, pharmaceuticals and intermediates |
| production method | from the reaction of chlorobenzene and acetic anhydride: the anhydrous aluminum chloride, anhydrous carbon disulfide and dry chlorobenzene heating together, after stirring, acetic anhydride was slowly dropped into the mixture at the time of slight boiling. After addition, the mixture was stirred and refluxed for 1H to recover carbon disulfide. When the reactant is cooled to room temperature and warmed, slowly pour into the crushed ice containing hydrochloric acid under stirring, and the stratification should be clear. If it is not clear, a small amount of hydrochloric acid should be added. After pouring a small amount of benzene into this solution, the oil layer was extracted, and the water layer was extracted once with benzene again. The extract was combined with the oil layer, washed with about 15% sodium hydroxide to remove the acidity, then washed with water until neutral and dried, after distillation under reduced pressure, the crude fractions were collected and frozen for 48h. The mother liquor was separated and the crystals were melted to be the finished product. The yield was 83.1%. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-mouse LD50: 1207 mg/kg; Intraperitoneal-mouse LD50: |
| flammability hazard characteristics | when exposed to heat, open flame combustion; Reaction with water vapor to generate chloride; discharge of toxic chloride fumes by thermal decomposition |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Anti-Flame, anti-high temperature, moisture-proof |
| fire extinguishing agent | fog, foam, dry powder |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:04:16
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View History
4-Chloroacetophenone
甲基 3-[(噁烷-4-基)氨基]丙酯
Thiocyanic acid, chloromethyl ester (7CI,8CI,9CI)
BIS(2,6-DI-TERT-BUTYL-4-METHYLPHENOXY)METHYLALUMINUM
异丙基-Β-D-硫代半乳糖苷(简称IPTG)
Pyrazole-4-Aldehyde
187-1, N-WASP inhibitor
5-(Trifluoromethyl)nicotinic acid
(E)-3-[4-methoxy-3-[(4-methyl-1-pyrazolyl)methyl]phenyl]prop-2-enoic acid
2-甲氧基-5-乙砜基苯甲酸甲酯
甲基 3-[(噁烷-4-基)氨基]丙酯
Thiocyanic acid, chloromethyl ester (7CI,8CI,9CI)
BIS(2,6-DI-TERT-BUTYL-4-METHYLPHENOXY)METHYLALUMINUM
异丙基-Β-D-硫代半乳糖苷(简称IPTG)
Pyrazole-4-Aldehyde
187-1, N-WASP inhibitor
5-(Trifluoromethyl)nicotinic acid
(E)-3-[4-methoxy-3-[(4-methyl-1-pyrazolyl)methyl]phenyl]prop-2-enoic acid
2-甲氧基-5-乙砜基苯甲酸甲酯