4334-87-6
3-Ethoxycarbonylphenylboronic acid
CAS: 4334-87-6
Molecular Formula: C9H11BO4
4334-87-6 - Names and Identifiers
| Name | 3-Ethoxycarbonylphenylboronic acid |
| Synonyms | AKOS BRN-0097 ETHYL 3-BORONOBENZOATE 3-CARBETHOXY-PHENYL-BORONIC ACID 3-Ethoxycarbonylphenylboronic acid M-ETHOXYCARBONYLPHENYLBORONIC ACID 3-ETHOXYCARBONYLPHENYLBORONIC ACID 3-Borono-benzoic acid 1-ethyl ester 3-(Ethoxycarbonyl)phenylboronic acid 3-(ETHOXYCARBONYL)BENZENEBORONIC ACID 3-(Ethoxycarbonyl)phenylboronic Acid (contains varying aMounts of Anhydride) |
| CAS | 4334-87-6 |
| InChI | InChI=1/C9H11BO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6,12-13H,2H2,1H3 |
| InChIKey | REHVCPNQQBDOJJ-UHFFFAOYSA-N |
4334-87-6 - Physico-chemical Properties
| Molecular Formula | C9H11BO4 |
| Molar Mass | 193.99 |
| Density | 1.21±0.1 g/cm3(Predicted) |
| Melting Point | 135-139 °C (lit.) |
| Boling Point | 368.4±44.0 °C(Predicted) |
| Flash Point | 176.6°C |
| Solubility | soluble in Methanol |
| Vapor Presure | 4.45E-06mmHg at 25°C |
| Appearance | Crystalline powder |
| Color | White |
| pKa | 7.78±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.526 |
| MDL | MFCD02179444 |
4334-87-6 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R26 - Very Toxic by inhalation R22 - Harmful if swallowed |
| Safety Description | S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S28 - After contact with skin, wash immediately with plenty of soap-suds. |
| WGK Germany | 3 |
| TSCA | No |
| HS Code | 29319090 |
| Hazard Class | IRRITANT |
4334-87-6 - Introduction
Acid is an organic compound with the chemical formula C9H11BO4. The following is a description of its nature, use, formulation and safety information:
Nature:
a white crystal with a relative molecular mass of 187.99. It is solid at room temperature, soluble in alcohol and ether solvents. It is acidic and can react with boric acid ester or boric acid chloride.
Use:
The acid is an important intermediate in organic synthesis. It can be used to synthesize compounds such as drugs, pesticides, dyes and polymers. The reaction with sodium hydroxide can prepare benzene borate ester containing carboxyl group, and then used in ester exchange reaction and coupling reaction.
Preparation Method:
It can be prepared by reacting 3-aminophenylboronic acid with acetyl chloride. First, 3-aminobenzene boronic acid is added to acetic acid, and alkali is added to adjust the pH value to form an intermediate of Cr acid, and then excess acetyl chloride is added to react to obtain Cr acid.
Safety Information:
There is limited information on acid safety. It can cause irritation to the eyes, skin and respiratory tract. Wear appropriate personal protective equipment such as safety glasses, gloves and protective masks when using or handling. Avoid direct contact with skin and eyes, and make sure to operate in a well-ventilated area. In case of discomfort or contact, seek medical attention immediately.
Nature:
a white crystal with a relative molecular mass of 187.99. It is solid at room temperature, soluble in alcohol and ether solvents. It is acidic and can react with boric acid ester or boric acid chloride.
Use:
The acid is an important intermediate in organic synthesis. It can be used to synthesize compounds such as drugs, pesticides, dyes and polymers. The reaction with sodium hydroxide can prepare benzene borate ester containing carboxyl group, and then used in ester exchange reaction and coupling reaction.
Preparation Method:
It can be prepared by reacting 3-aminophenylboronic acid with acetyl chloride. First, 3-aminobenzene boronic acid is added to acetic acid, and alkali is added to adjust the pH value to form an intermediate of Cr acid, and then excess acetyl chloride is added to react to obtain Cr acid.
Safety Information:
There is limited information on acid safety. It can cause irritation to the eyes, skin and respiratory tract. Wear appropriate personal protective equipment such as safety glasses, gloves and protective masks when using or handling. Avoid direct contact with skin and eyes, and make sure to operate in a well-ventilated area. In case of discomfort or contact, seek medical attention immediately.
Last Update：2024-04-09 02:00:46
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