ISO 17034:
Catalog Number : CS-O-11101
CAS Number : 2008-58-4
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Product Information

Product Name : 2,6-Dichlorobenzamide
Category : Fine Chemicals
Purity : >98%
Molecular Weight : 188.97 mol/g
Molecular Formula : C₇H₅Cl₂NO
Application : Vemurafenib Impurity;Impurity in commercial preparations of Vemurafenib
Therapeutic : Anti-Cancer / Oncology

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Hazardous Compound : No

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References : "Halaban, R, et al,: Pigm,cell, Melonoma Res,, 23, 190 (2010); Yang, H, et al,:cacer Res,, 70, 5518 (2010);comin-Anduix, B, et al,:clin,cacer Res,, 16, 6040 (2010);"
Canonical SMILES : C1=CC(=C(C(=C1)Cl)C(=O)N)Cl
Isomeric SMILES : C1=CC(=C(C(=C1)Cl)C(=O)N)Cl
InChI : InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
IUPAC Name : 2,6-dichlorobenzamide
Exact Mass : 188.9748192
Color : Crystals
Melting Point : 197.5 °C
Solubility : 0.01 M
Chemical Classes : Nitrogen Compounds -> Other Aromatics (Nitrogen)
Use Classification : Transformation products
Description : 2,6-dichlorobenzamide is a member of the class of benzamides that is benzamide substituted by chloro groups at positions 2 and 6. It has a role as a herbicide and a marine xenobiotic metabolite. It is a dichlorobenzene and a member of benzamides.
Disposal Methods : SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.
EC Number : 217-918-4
Vapor Pressure : 0.0000326 [mmHg]
Toxicity Summary : IDENTIFICATION AND USE: 2,6-Dichlorobenzamide (BAM) was formerly used as a pesticide. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: BAM was given to rats (35/sex/dose) for 106 weeks at doses 0, 2.2, 3.6, 6.5, or 19 mg/kg/day in males; 0, 2.8, 4.7, 8.5, or 25 mg/kg/day in females. There was a statistically significant decrease in mean body weight gains in both males and females (10% and 20% less than controls, respectively, at week 52), and slightly increased severity of fat deposition in the livers of females. BAM produced an increased incidence of hepatoma in females. The carcinogenic potential of BAM appears to be less than or equal to that of dichlobenil. In a single dose study in which the group of mice was treated at 250 mg/kg, the mice displayed mild neurotoxic effects (lethargy and ataxia), the group treated at 500 mg/kg were severely affected (becoming comatose), and the groups treated at 1000 mg/kg and higher died in extremis. A mouse micronucleus assay using a single dose of BAM (250 mg/kg) was negative. BAM was negative for inducing repair of DNA damage as measured by unscheduled DNA synthesis (UDS), as determined by net nuclear silver grain count in primary rat hepatocytes, exposed up to cytotoxic doses (1000 ug/mL). BAM was negative for inducing reverse gene mutation in TA strains of Salmonella typhimurium with and without metabolic activation. ECOTOXICITY STUDIES: Short term experiments showed that BAM was moderately toxic to guppies Poecilia reticulata, rainbow trout Salmo gairdneri, daphnids Daphnia magna and the algae Chlorella pyrenoidosa and Scenedesmus pannonicus. In long term studies with daphnids concentrations up to 320 mg/L did not significantly alter survival and reproduction. An embryolarval test with rainbow trout, however, showed a significant reduction of survival and growth as well as a delay of yolk resorption at concentrations equal to or exceeding 18 mg/L. The accumulation of unchanged BAM in leaf tips and margins was reported to be the cause of leaf margin chlorosis.
Antidoteand Emergency Treatment : /SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Organic acids and related compounds/