| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
|
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| Other Sizes |
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
A study on a lactating cow showed that over a 4-day period, dietary chlorobenzene (5 ppm daily) was rapidly excreted via urine (88%) and feces (5%). No residues were detected in the milk. Approximately 18% of the chlorobenzene in the urine was present in the form of unknown conjugates. Unpublished canine feeding studies… showed that dietary chlorobenzene (5 ppm) was rapidly excreted via urine and feces, and no residues were detected in collected tissue samples… Acidic compounds, such as 3-amino-2,5-dichlorobenzoic acid, bind to bovine serum albumin. The ratio of (14)C in the blood/tissue of rats treated with labeled acids was highly correlated with the logarithm of the binding affinity constant. Metabolism/Metabolites In tolerant and susceptible plant species, the major metabolic pathway of chloramphenicol appears to be the rapid formation of methanol-soluble conjugates and “bound” insoluble residues. In plants, aniline is converted to N-glucosamine. An enzyme isolated from soybean… was found to be specific for uridine diphosphate-5'-glucose and its corresponding thymidine analogues. …The long-term stability, immobility, and accumulation of N-glucosamine conjugates in vivo in susceptible and tolerant plants strongly suggest that N-glucosamine biosynthesis is a major detoxification mechanism. 3-Amino-2,5-dichlorobenzoic acid-N-glucosamine is produced in soybean, barley, beet, tomato, and cucumber. /Excerpt from Table/ Metabolism of Chloraniline in Plants. According to reported, the chlorobenzene-X conjugate was identified as methyl 3-amino-2,5-dichlorobenzoate (chlorobenzene methyl ester), a product formed during the purification of the methanol extract from the Florisil column by transesterification of an unknown ester metabolite. |
|---|---|
| Toxicity/Toxicokinetics |
Toxicity Data
LC50 (Rat) > 200,000 mg/m³/1hr Interactions ...Caffeine and chlorobenzene react in the rat stomach to form an insoluble complex. Reduced gastrointestinal absorption of caffeine at 14°C is associated with incomplete dissociation of the chlorobenzene-caffeine complex in the intestine. Non-human Toxicity Values Oral LD50 in rats: 3,500 to 5,620 mg/kg Dermal LD50 in rabbits: 3,136 mg/kg |
| References | |
| Additional Infomation |
purplish-white powder or light purple solid. (NTP, 1992) Chloroaniline is a chlorobenzoic acid. It is used as a herbicide for various crops. Information on the health effects of chloroaniline is limited. Acute (short-term) exposure to high concentrations of chloroaniline in humans can cause mild to moderate skin irritation. There is currently no information on the chronic (long-term) effects of chloroaniline in humans. Animal studies report that long-term oral administration of chloroaniline can affect the liver. A study by the U.S. National Toxicology Program reported that oral administration of chloroaniline caused liver tumors in mice but did not infect rats. The U.S. Environmental Protection Agency has not listed chloroaniline as a potential carcinogen.
|
| Molecular Formula |
C7H5CL2NO2
|
|---|---|
| Molecular Weight |
204.02
|
| Exact Mass |
204.969
|
| CAS # |
133-90-4
|
| Related CAS # |
1076-46-6 (ammonium salt);1954-81-0 (hydrochloride salt);28283-88-7 (aluminum salt)
|
| PubChem CID |
8630
|
| Appearance |
COLORLESS CRYSTALLINE SOLID
|
| Density |
1.6±0.1 g/cm3
|
| Boiling Point |
373.2±42.0 °C at 760 mmHg
|
| Melting Point |
200 °C
|
| Flash Point |
179.5±27.9 °C
|
| Vapour Pressure |
0.0±0.9 mmHg at 25°C
|
| Index of Refraction |
1.658
|
| LogP |
2.52
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
12
|
| Complexity |
188
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl
|
| InChi Key |
HSSBORCLYSCBJR-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)
|
| Chemical Name |
3-amino-2,5-dichlorobenzoic acid
|
| Synonyms |
Amiben DS Amoben Amibin
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~250 mg/mL (~1213.42 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (10.10 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (10.10 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (10.10 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.9015 mL | 24.5074 mL | 49.0148 mL | |
| 5 mM | 0.9803 mL | 4.9015 mL | 9.8030 mL | |
| 10 mM | 0.4901 mL | 2.4507 mL | 4.9015 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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