카벤다짐
카벤다딘 · 메틸-N-(2-벤즈이미다조릴)카바메이트 · 카벤다짐 · 프리벤톨BCM · 카벤다짐(CARBENDAZIM) · 카르벤다짐 · BCM · MBC

식별자 및 물리적 특성
| CAS No. | 10605-21-7 |
|---|---|
| 분자식 | C9H9N3O2 |
| 평균 분자량 | 191.19 g/mol |
| 단동위원소 질량 | 191.06947653 g/mol |
| SMILES | COC(=O)Nc1nc2ccccc2[nH]1 |
| InChIKey | TWFZGCMQGLPBSX-UHFFFAOYSA-N |
| PubChem CID | 25429 |
| ChEMBL | CHEMBL70971 |
| ChEBI | CHEBI:3392 |
| EC No. | 234-232-0 |
| DTXSID | DTXSID4024729 |
| 현지명 | 카벤다짐 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 67 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 222 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| 농약 | Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Not approvedPesticides -> FungicidesEnvironmental transformation -> Pesticides (parent, predecessor)Pesticides -> Fungicides -> Benzimidazole fungicidesFungicides, Transformation products |
| LogP(분배 계수) | log Kow = 1.521.491.75 |
| 냄새 | Odorless /Technical/ |
| 밀도 | 1.45 at 68 °F (NTP, 1992) - Denser than waterwill sink1.45 g/cu cm at 25 °C0.27 g/cm³1.4500 |
| Color/Form | White powderCrystalline powderNearly white solid /Technical/Light-gray powderOff-white, crystalline powder |
| 용해도 | less than 1 mg/mL at 70 °F (NTP, 1992)Solubility in water at 24 °C: 29 mg/L at pH 48 mg/L at pH 71.49 mg/L at pH 8Soluble in (g/L at 24 °C): dimethylformamide 5, acetone 0.3, ethanol 0.3, chloroform 0.1, ehtyl acetate 0.135, dichlormethane 0.068, benzene 0.036, cyclohexane <0.01, diethyl ether <0.01, hexane 0.0005Xylene: <1 g/100 g at 20 °CCylcohexanone: < 1 g/100 g /Technical grade/Solubility at 20 °C (mg/L): hexane 0.5benzene 36dichloromethane 68ethanol 300dimethylformamide 5000, chloroform 100, acetone 300Slightly soluble in most solvents피리딘: 가용성 1%, 투명하고 매우 희미한 갈색을 띤 노란색 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Decomposition | Decomposes at 300 °C.When heated to decomposition it emits toxic fumes of /nitric oxides/.Slowly decomposed in alkaline soln (22 °C): DT50 >350 days (pH 5 and pH 7), 124 days (pH 9).302-307 °C |
| 녹는점 | 576 to 585 °F (decomposes) (NTP, 1992)Decomposes at 300 °CMP: 302-307 °C (decomposes)302 - 307 °C>300 °C (lit.) |
| 증기압 | less than 0.000000075 mmHg at 68 °F<0.001 mmHg at 257 °F (NTP, 1992)7.5X10-10 mm Hg at 20 °CVapor pressure at 20 °C: negligible1.5 x 10-4 Pa (25 °C) |
| Physical Description | Carbendazim appears as light gray or beige powder. (NTP, 1992)White to light-gray, odorless solid[HSDB] Powder[MSDSonline]COLOURLESS CRYSTALS OR GREY-TO-WHITE POWDER. |
| 끓는 점 | 326.92°C (rough estimate) |
| 굴절률 | 1.6500 (estimate) |
| 인화점 | 11 °C |
| 저장 조건 | -20°C |
| pKa(산도 계수) | 4.48(at 25℃) |
| 물리적 상태 | Solid |
| 색상 | White to off-white |
| 생물학적 소스 | human |
| 용해도 | 21°C에서 <0.1g/100mL |
| Merck | 13,1799 |
| BRN | 649044 |
| 헨리 상수 | 4.7×105 mol/(m3Pa) at 25℃, HSDB (2015) |
| 주요 응용 | 농업청소용품화장품환경음식 및 음료개인 위생 관리 |
| InChI | 1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) |
| InChIKey | TWFZGCMQGLPBSX-UHFFFAOYSA-N |
| SMILES | COC(=O)Nc1nc2ccccc2[nH]1 |
| LogP(분배 계수) | 1.4-1.5 at 25℃ and pH5-9 |
| EPA | Carbendazim (10605-21-7) |
안전 및 규제
| GHS 분류 | DangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.3% (2 of 692) of reports.H317 (27.9%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
|---|---|
| 규제 정보 | Chemical: Carbamic acid, 1H-benzimidazol-2-yl-, methyl esterHazard Traits - GenotoxicityReproductive ToxicityRegulation (EC) No 396/2005 (amended)Carbendazim (MBC) is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2006/135/EC, 2010/70/EC, 2011/58/EU, Reg (EU) 2015/408, Reg. (EU) 2022/801, Reg. (EU) No 540/2011, Reg. (EU) No 542/2011Status: Active Update: 04-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27856 |
| 기타 안전 정보 | IMAP assessments - Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester: Human health tier II assessment |
| 운송 라벨(DOT) | Class 9 |
| 화재 위험 | Literature sources indicate that this chemical is probably nonflammable. (NTP, 1992)Gives off irritating or toxic fumes (or gases) in a fire. |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of NOx. (NTP, 1992) |
| 유해성 요약 | Reproductive toxin in animal studies[ICSC] Toxic by ingestion and skin absorptionWorkers may be exposed after inhalation of dust or skin contactMale rats fed 200 mg/kg 5 days/week for 2 weeks have testicular damageRats fed 32 mg/kg for 90 days have liver and kidney damage[HSDB] An irritant[MSDSonline] Induces genetic damage in germ cells of humans or animals (3A)[MAK] |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| EC 분류 | Symbol: T, N |
용도
개요
Carbendazim is the degradation product and active ingredient of the carbamate fungicide benomyl. Carbendazim (100 μM) disrupts the growth of S. cerevisiae by inhibiting microtubule polymerization. It impairs meiosis and steroidogenesis in an ex vivo rat model of seminiferous tubules and increases prostate weight in rats when administered at a dose of 100 mg/kg but does not affect other testosterone-dependent or estrogen-dependent tissues.
용도
Carbendazim is the most widely used active ingredient in the benzimidazole class of fungicides. It is a systemic fungicide with both protective and curative activities against a wide range of fungal diseases, especially caused by most Ascomycetes spp. and some Basidiomycetes and Deuteromycetes spp. in a wide variety of crop and ornamental uses.
일반 설명
Light gray or beige powder.