3-CARBOXYPHENYL ISOTHIOCYANATE
3-Isothiocyanatobenzoic acid
CAS: 2131-63-7
Molecular Formula: C8H5NO2S
3-CARBOXYPHENYL ISOTHIOCYANATE - Names and Identifiers
| Name | 3-Isothiocyanatobenzoic acid |
| Synonyms | RARECHEM AL BO 0439 3-Isothiocyanatobenzoic acid 3-Carboxyphenyl isothiocyate 3-CARBOXYPHENYL ISOTHIOCYANATE Benzoic acid, 3-isothiocyanato- |
| CAS | 2131-63-7 |
3-CARBOXYPHENYL ISOTHIOCYANATE - Physico-chemical Properties
| Molecular Formula | C8H5NO2S |
| Molar Mass | 179.2 |
| Density | 1.3522 (rough estimate) |
| Melting Point | 165 °C |
| Boling Point | 381.2±25.0 °C(Predicted) |
| Water Solubility | 100.4mg/L(25 ºC) |
| BRN | 2209003 |
| pKa | 3.72±0.10(Predicted) |
| Storage Condition | 2-8℃ |
| Sensitive | Moisture Sensitive |
| Refractive Index | 1.6370 (estimate) |
| MDL | MFCD00041367 |
3-CARBOXYPHENYL ISOTHIOCYANATE - Risk and Safety
| Risk Codes | R20/22 - Harmful by inhalation and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| 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. |
| UN IDs | 2811 |
| Hazard Class | 6.1 |
| Packing Group | III |
3-CARBOXYPHENYL ISOTHIOCYANATE - Introduction
3-Isothiocyanatobenzoic acid (3-Isothiocyanatobenzoic acid) is a chemical substance that has the following properties:
1. Appearance: 3-Isothiocyanatobenzoic acid is a white to light yellow crystalline or powdery solid.
2. Solubility: It is soluble in organic solvents such as chloroform, dichloromethane and ethanol, but difficult to dissolve in water.
3. chemical properties: 3-Isothiocyanatobenzoic acid can react with amine compounds to form isothiocyanates, which are commonly used in biomarkers and protein modification.
The main uses of 3-Isothiocyanatobenzoic acid include:
1. Biomarker: It can be combined with amino compounds for fluorescence or radiation labeling in biochemical experiments.
2. protein modification: 3-Isothiocyanatobenzoic acid can be used as a protein modification reagent to achieve protein labeling and change its properties by reacting with amino groups on the protein.
The method for preparing 3-Isothiocyanatobenzoic acid is generally to react with chlorothionic acid and benzoic acid to generate the corresponding intermediate, and finally to obtain the target product through hydrolysis reaction.
Regarding safety information, 3-Isothiocyanatobenzoic acid is considered to be a toxic and irritating chemical. During handling and use, appropriate laboratory safety procedures should be followed, including wearing appropriate protective gloves, glasses and laboratory coats to ensure safe handling and storage. In addition, inhalation or contact with skin and eyes should be avoided, and ignition sources should be kept away. If unexpected exposure or discomfort occurs, medical advice should be sought immediately.
1. Appearance: 3-Isothiocyanatobenzoic acid is a white to light yellow crystalline or powdery solid.
2. Solubility: It is soluble in organic solvents such as chloroform, dichloromethane and ethanol, but difficult to dissolve in water.
3. chemical properties: 3-Isothiocyanatobenzoic acid can react with amine compounds to form isothiocyanates, which are commonly used in biomarkers and protein modification.
The main uses of 3-Isothiocyanatobenzoic acid include:
1. Biomarker: It can be combined with amino compounds for fluorescence or radiation labeling in biochemical experiments.
2. protein modification: 3-Isothiocyanatobenzoic acid can be used as a protein modification reagent to achieve protein labeling and change its properties by reacting with amino groups on the protein.
The method for preparing 3-Isothiocyanatobenzoic acid is generally to react with chlorothionic acid and benzoic acid to generate the corresponding intermediate, and finally to obtain the target product through hydrolysis reaction.
Regarding safety information, 3-Isothiocyanatobenzoic acid is considered to be a toxic and irritating chemical. During handling and use, appropriate laboratory safety procedures should be followed, including wearing appropriate protective gloves, glasses and laboratory coats to ensure safe handling and storage. In addition, inhalation or contact with skin and eyes should be avoided, and ignition sources should be kept away. If unexpected exposure or discomfort occurs, medical advice should be sought immediately.
Last Update：2024-04-09 20:52:54
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