Benzoic acid, 4-(chloromethyl)-
4-(Chloromethyl)benzoic acid
CAS: 1642-81-5
Molecular Formula: C8H7ClO2
Benzoic acid, 4-(chloromethyl)- - Names and Identifiers
| Name | 4-(Chloromethyl)benzoic acid |
| Synonyms | RARECHEM AL BO 0358 -Chloro-p-toluicacid 4-(Chloromethyl)benzoic acid P-(CHLOROMETHYL)BENZOIC ACID 4-(ChloroMethyl)benzoic acid Benzoic acid, 4-(chloromethyl)- 4 - chlorine Methyl benzoic acid |
| CAS | 1642-81-5 |
| EINECS | 216-697-1 |
| InChI | InChI=1/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)/p-1 |
Benzoic acid, 4-(chloromethyl)- - Physico-chemical Properties
| Molecular Formula | C8H7ClO2 |
| Molar Mass | 170.59 |
| Density | 1.315±0.06 g/cm3(Predicted) |
| Melting Point | 201-202℃ |
| Boling Point | 317.7°C at 760 mmHg |
| Flash Point | 145.9°C |
| Vapor Presure | 0.000159mmHg at 25°C |
| Appearance | Crystalline powder |
| Storage Condition | Room Temprature |
| Sensitive | Easily absorbing moisture |
| MDL | MFCD00002568 |
| Physical and Chemical Properties | Needle-like crystals. Melting point 205 °c (199-201 °c). Soluble in ether, hot ethanol and hot water. |
| Use | For pharmaceutical and dye intermediates |
Benzoic acid, 4-(chloromethyl)- - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 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.) |
| UN IDs | UN 3261 |
Benzoic acid, 4-(chloromethyl)- - Upstream Downstream Industry
| Raw Materials | P-XYLENE p-Toluic acid Cobalt naphthenate |
| Downstream Products | 4-(Aminomethyl)benzoic acid 4-(CHLOROMETHYL)BENZYL ALCOHOL 99 4-(4-Methylpiperazin-1-ylmethyl)benzoic acid |
Benzoic acid, 4-(chloromethyl)- - Nature
| storage conditions | Inert atmosphere,Room Temperature |
| morphology | Crystalline Powder |
| acidity coefficient (pKa) | 4.11±0.10(Predicted) |
| color | White to slightly yellow |
| sensitivity | Moisture Sensitive |
| BRN | 1907970 |
| NIST chemical information | 4-(Chloromethyl)benzoic acid(1642-81-5) |
Last Update：2024-04-10 22:29:15
Benzoic acid, 4-(chloromethyl)- - Production method
It is obtained by oxidation and chlorination of p-xylene. 1. Catalytic oxidation Add p-xylene and cobalt naphthenate to the reaction pot, raise the temperature to 90 ℃ and introduce air, and react at 110-115 ℃ for 20h. Cool to room temperature, filter, wash the cake with p-xylene, dry to obtain p-methylbenzoic acid. 2. Chlorination Add chlorobenzene and p-methylbenzoic acid to the reaction pot, heat to 40 ℃, introduce nitrogen, and stir evenly. When the temperature rises to 60 ℃, stop passing nitrogen, change to passing chlorine, and light at the same time. The temperature reaches 110 ℃ within 1h, and the chlorine is continued at 110-115 ℃, with a total of 8h of chlorine, so that the chlorine quantity exceeds the theoretical quantity. Then stop chlorine. Hydrogen chloride in the discharge material. Stop nitrogen and heating, put the material at 90 ℃, leave it overnight, filter, wash the crystals with a small amount of chlorobenzene, rinse with a large amount of water, filter dry, and dry to obtain the finished product.
Last Update：2024-04-10 22:29:15
Benzoic acid, 4-(chloromethyl)- - Security information
| WGK Germany | 3 |
| F | 19 |
| HazardClass | 8 |
| PackingGroup | III |
| customs code | 29163990 |
Last Update：2024-04-10 22:29:15
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View History
Raw Materials for Benzoic acid, 4-(chloromethyl)-
Downstream Products for Benzoic acid, 4-(chloromethyl)-
4-(Aminomethyl)benzoic acid
4-(CHLOROMETHYL)BENZYL ALCOHOL 99
4-(4-Methylpiperazin-1-ylmethyl)benzoic acid
4-(CHLOROMETHYL)BENZYL ALCOHOL 99
4-(4-Methylpiperazin-1-ylmethyl)benzoic acid