4(p-bis(beta-chloroethyl)aminophenyl)butyricacid
Chlorambucil
CAS: 305-03-3
Molecular Formula: C14H19Cl2NO2
4(p-bis(beta-chloroethyl)aminophenyl)butyricacid - Names and Identifiers
4(p-bis(beta-chloroethyl)aminophenyl)butyricacid - Physico-chemical Properties
| Molecular Formula | C14H19Cl2NO2 |
| Molar Mass | 304.21 |
| Density | 1.2486 (rough estimate) |
| Melting Point | 65-70°C |
| Boling Point | 460.1±40.0 °C(Predicted) |
| Flash Point | 231.9°C |
| Water Solubility | <0.01 g/100 mL at 22 ºC |
| Solubility | Practically insoluble in water, freely soluble in acetone and in ethanol (96 per cent). |
| Vapor Presure | 2.98E-09mmHg at 25°C |
| Appearance | neat |
| Color | White to Light yellow |
| Maximum wavelength(λmax) | ['588nm(DMSO aq.)(lit.)'] |
| Merck | 14,2073 |
| BRN | 999011 |
| pKa | pKa ～1.3(H2O) (Uncertain) |
| Storage Condition | 2-8°C |
| Stability | Stable, but may be light sensitive. Store cold. Incompatible with strong oxidizing agents. |
| Refractive Index | 1.6070 (estimate) |
| Physical and Chemical Properties | Melting Point: 64 ℃ water-soluble:<0.01g/100 mL at 22 C Appearance: white crystals or granular powder |
| Use | Antitumor drugs, immunosuppressants. |
4(p-bis(beta-chloroethyl)aminophenyl)butyricacid - Risk and Safety
| Hazard Symbols | T - Toxic |
| Risk Codes | R45 - May cause cancer R25 - Toxic if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S53 - Avoid exposure - obtain special instructions before use. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | ES7525000 |
| HS Code | 29224999 |
| Hazard Class | 6.1(b) |
| Packing Group | III |
| Toxicity | LD50 i.p. in rats: 58.2 mmole/kg (Ross) |
4(p-bis(beta-chloroethyl)aminophenyl)butyricacid - Reference
| Reference Show more | 1. [IF=3.591] Guichen Li et al."Poly(HPMA)–chlorambucil conjugate nanoparticles: facile fabrication and in vitro anti-cancer activity."New J Chem. 2021 Oct;45(39):18544-18551 |
4(p-bis(beta-chloroethyl)aminophenyl)butyricacid - Standard
Authoritative Data Verified Data
This product is 4-[BIS (2-chloroethyl) amino] phenylbutyric acid. The content of C14H19C12N02 shall not be less than 98.0% calculated as anhydrous.
Last Update：2024-01-02 23:10:35
4(p-bis(beta-chloroethyl)aminophenyl)butyricacid - Trait
Authoritative Data Verified Data
- This product is a kind of white crystalline powder; Slightly odor; Light or placed for a long time, color gradient deep.
- This product is easily soluble in acetone, soluble in ethanol or three gas methane, insoluble in water.
melting point
The melting point of this product (General 0612) is 64~68°C.
Last Update：2022-01-01 13:33:10
4(p-bis(beta-chloroethyl)aminophenyl)butyricacid - Preparation solution concentration reference
| 1mg | 5mg | 10mg | |
|---|---|---|---|
| 1 mM | 3.287 ml | 16.436 ml | 32.872 ml |
| 5 mM | 0.657 ml | 3.287 ml | 6.574 ml |
| 10 mM | 0.329 ml | 1.644 ml | 3.287 ml |
| 5 mM | 0.066 ml | 0.329 ml | 0.657 ml |
Last Update：2024-01-02 23:10:35
4(p-bis(beta-chloroethyl)aminophenyl)butyricacid - Differential diagnosis
Authoritative Data Verified Data
- take this product, add anhydrous ethanol to dissolve and make a solution containing about 15ug per lml, and measure by UV-Vis spectrophotometry (General rule 0401), there is maximum absorption at wavelengths of 257nm and 302nm and minimum absorption at wavelengths of 225nm and 280nm.
- The infrared absorption spectrum of this product should be consistent with that of the control (Spectrum set 226).
- take about 50mg of this product, add acetone 5ml to dissolve, add water 5ml, shake, add 2mol/L sulfuric acid solution 1 drop and silver nitrate test solution 4 drops, immediately observe, the solution should not be turbid; After heating in a water bath, the solution should be turbid.
Last Update：2022-01-01 13:33:10
4(p-bis(beta-chloroethyl)aminophenyl)butyricacid - Exam
Authoritative Data Verified Data
- Related substances take this product, add acetone to dissolve and dilute to make a solution containing about 20mg per 1 ml as a test solution; Take appropriate amount with precision, A solution containing 0.40mg per 1 ml was prepared as a control solution by quantitative dilution with acetone. According to the thin layer chromatography (General 0502) test, absorb 10 u1 of each of the above two solutions and put them on the same silica gel GF 254 thin layer plate (dried at room temperature for 24 hours), toluene-methanol-heptane-butanone (8:5:4:4) was used as the developing solvent, developed, dried, and placed under a UV lamp (254nm). Test solution such as impurity spots, compared with the control solution of the main spot, not deeper.
- the moisture content of this product shall not exceed 0832 as determined by the method for determination of moisture (General rule 0.5%, first method 1).
Last Update：2022-01-01 13:33:11
4(p-bis(beta-chloroethyl)aminophenyl)butyricacid - Content determination
Authoritative Data Verified Data
take about 0.2g of this product, precision weighing, add acetone 10ml dissolved, immediately add water 10ml and phenolphthalein indicator solution 3 drops, with sodium hydroxide titration solution (0.1 mol/L) rapid titration, and the results of the titration were corrected with a blank test. Each 1 ml of sodium hydroxide titration solution (0.1 mol/ L) corresponds to 30.42mg of Cl4H19C12NO2.
Last Update：2022-01-01 13:33:11
4(p-bis(beta-chloroethyl)aminophenyl)butyricacid - Category
Authoritative Data Verified Data
antineoplastic agents.
Last Update：2022-01-01 13:33:12
4(p-bis(beta-chloroethyl)aminophenyl)butyricacid - Storage
Authoritative Data Verified Data
light shielding, sealed storage.
Last Update：2022-01-01 13:33:12
4(p-bis(beta-chloroethyl)aminophenyl)butyricacid - Chlorambucil paper tablets
Authoritative Data Verified Data
This product contains chlorambucil (C14H19Cl2NO2) should be 85.0% to 110.0% of the label.
trait
This product is white or off-white paper sheet.
identification
- take 5 pieces of this product (about 10mg equivalent to chlorambucil), add 5ml of acetone, shake to dissolve chlorambucil, filter, add 5ml of water to the filtrate, shake, add 4 drops of nitric acid solution (1-2) and silver nitrate solution, and heat on the water bath, which will produce turbidity.
- take the test solution under the content determination item, according to ultraviolet-visible spectrophotometry (General rule 0401), there is a maximum absorption at the wavelength of 257nm and 302nm, there is minimal absorption at wavelengths of 225nm and 280nm.
examination
Content uniformity: take the product in 1 grid, add isopropyl ether-ethanol (1:9)25ml precisely, shake to dissolve chlorambucil, stand still, take the supernatant (filter if necessary), determination of content according to the method under the content determination item, should comply with the provisions (General 0941).
Content determination
Take 20 pieces of this product, cut them into pieces, put them in a plug Erlenmeyer flask, add 50ml of isopropyl ether (washed with water for 4 times in advance), shake them for 15 minutes, add 5ml of 10% potassium dihydrogen phosphate solution, pack them, after shaking vigorously for 15 minutes and allowing to stand for 5 minutes, 5ml of the isopropyl ether extract was accurately measured, placed in a 50ml measuring flask, diluted to the scale with ethanol, and shaken well to serve as a test solution; separately, take about 40mg of the reference substance of chlorambucil, weigh it accurately, put it in a 50ml measuring flask, dilute it to the scale with isopropyl ether (washed with water for 4 times in advance), shake it well, and take 5ml of the reference substance, in a 50ml measuring flask, dilute to the scale with ethanol and shake. The above two kinds of solutions were taken, and the absorbance was measured at a wavelength of 0401 nm by ultraviolet-visible spectrophotometry (general rule).
category
and chlorambucil.
specification
2mg
storability
light shielding, sealed, and stored in a cool place.
Last Update：2022-01-01 13:33:13
4(p-bis(beta-chloroethyl)aminophenyl)butyricacid - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| (IARC) carcinogen classification | 1 (vol. 26, sup 7, 100a) 2012 |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| biological activity | Chloroambucil (Chlorambucil) is a nitrogen mustard alkylating agent used to treat chronic lymphocytic leukemia. |
| use | for the treatment of chronic lymphocytic leukemia, lymphosarcoma, Hodgkin's disease and ovarian disease. The intermediate with nitrogen mustard group in the production of this product is highly toxic and flammable. During operation, it is necessary to prevent direct contact with materials (and mother liquor) anti-tumor drugs and immunosuppressants. |
| Production method | It is made of 4-p-aminophenylbutyric acid by hydrogen chloride methanol solution esterification, acetic acid and ethylene oxide hydroxylation, Chlorination of phosphorus oxychloride and hydrolysis of concentrated hydrochloric acid. |
| category | toxic substances |
| toxicity classification | highly toxic |
| acute toxicity | oral-rat LD50: 76 mg/kg; Oral-mouse LD50: 101 mg/kg |
| flammability hazard characteristics | thermal decomposition discharges toxic nitrogen oxides and chloride smoke |
| storage and transportation characteristics | warehouse low temperature ventilation and drying; separate from food raw materials |
| fire extinguishing agent | water, carbon dioxide, foam, dry powder |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 20:48:19
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