毒草胺结构式
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常用名 | 毒草胺 | 英文名 | Propachlor |
|---|---|---|---|---|
| CAS号 | 1918-16-7 | 分子量 | 211.688 | |
| 密度 | 1.1±0.1 g/cm3 | 沸点 | 290.4±23.0 °C at 760 mmHg | |
| 分子式 | C11H14ClNO | 熔点 | 67-76°C | |
| MSDS | 中文版 美版 | 闪点 | 129.4±22.6 °C | |
| 符号 |
GHS07, GHS09 |
信号词 | Warning |
毒草胺用途Propachlor is a specific ALDH1A1 inhibitor. It is sometimes used as an herbicide. |
| 中文名 | 毒草胺 |
|---|---|
| 英文名 | propachlor |
| 中文别名 | N-异丙基-2-氯乙酰苯胺 | 2-氯-N-异丙基乙酰苯胺 | 毒草安 |
| 英文别名 | 更多 |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 290.4±23.0 °C at 760 mmHg |
| 熔点 | 67-76°C |
| 分子式 | C11H14ClNO |
| 分子量 | 211.688 |
| 闪点 | 129.4±22.6 °C |
| 精确质量 | 211.076385 |
| PSA | 20.31000 |
| LogP | 2.28 |
| InChIKey | MFOUDYKPLGXPGO-UHFFFAOYSA-N |
| SMILES | CC(C)N(C(=O)CCl)c1ccccc1 |
| 外观性状 | 淡黄褐色的结晶粉末 |
| 蒸汽压 | 0.0±0.6 mmHg at 25°C |
| 折射率 | 1.551 |
| 储存条件 | 保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置 |
| 稳定性 | 如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物。对眼睛有刺激性。 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:0 3.氢键受体数量:1 4.可旋转化学键数量:3 5.互变异构体数量:无 6.拓扑分子极性表面积20.3 7.重原子数量:14 8.表面电荷:0 9.复杂度:188 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 更多 | 1. 性状:淡黄褐色固体。 2. 密度(g/mL,25ºC):未确定 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):67~76 5. 沸点(ºC ,0.004kPa):110 6. 沸点(ºC,20mmHg):未确定 7. 折射率:未确定 8. 闪点(°C):100 9. 比旋光度(ºF):未确定 10. 自燃点或引燃温度(ºC):未确定 11. 蒸气压(kPa,25ºC):未确定 12. 饱和蒸气压(kPa,110ºC):0.004 13. 燃烧热(KJ/mol):未确定 14. 临界温度(ºC):未确定 15. 临界压力(KPa):未确定 16. 油水(辛醇/水)分配系数的对数值:未确定 17. 爆炸上限(%,V/V):未确定 18. 爆炸下限(%,V/V):未确定 19. 溶解性:微溶于水的 |
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毒草胺毒理学数据: 65 %}可湿性粉剂对大鼠急性经口LD50为1200mg/kg;川.4%,水恳液对家兔急性经皮LD50>380mg/kg。屹鱼LC50为1 .3mg/L. 毒草胺生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境 |
| 符号 |
GHS07, GHS09 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H302-H317-H319-H410 |
| 警示性声明 | P273-P280-P305 + P351 + P338-P501 |
| 个人防护装备 | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| 危害码 (欧洲) | Xn:Harmful;N:Dangerousfortheenvironment; |
| 风险声明 (欧洲) | R22;R36;R43;R50/53 |
| 安全声明 (欧洲) | S24-S37-S60-S61 |
| 危险品运输编码 | UN 2811 |
| RTECS号 | AE1575000 |
| 海关编码 | 2924299014 |
| 毒草胺上游产品 2 | |
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| 毒草胺下游产品 2 | |
苯胺与2-氯丙烷在130-140℃,约1MPa压力下反应4h,降温至95℃,泄压后缓慢滴加氯乙酰氯,于100℃反应3h,即制得毒草胺。原料消耗定额:苯胺530kg/t、丙烯410kg/t、盐酸520kg/t、氯乙酰氯740kg/t、氯化钙200kg/t。
| 海关编码 | 2924299014 |
|---|---|
| 中文概述 | 2924299014 毒草胺、丁烯草胺、二氯己酰草胺。监管条件:S(进出口农药登记证明)。增值税率:17.0%。退税率:9.0%。最低关税:6.5%。普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途, 包装 |
| 监管条件 | S.进出口农药登记证明 |
| Summary | 2924299014 2-chloro-n-isopropyl-n-phenylacetamide。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:30.0% |
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Glutathione-dependent cytotoxicity of the chloroacetanilide herbicides alachlor, metolachlor, and propachlor in rat and human hepatoma-derived cultured cells.
Cell Biol. Toxicol. 15(5) , 325-32, (1999) Alachlor, metolachlor, and propachlor are widely used chloroacetanilide herbicides. Their cytotoxicity in rat (Fa32) and human (Hep G2) hepatoma-derived cells was investigated, in connection with thei... |
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Kinetics and mechanism of propachlor reductive transformation through nucleophilic substitution by dithionite
Chemosphere 85(9) , 1438-43, (2011) Highlights ► The reductive dechlorination of propachlor was efficiently achieved by dithionite. ► The transformation of propachlor initiated by dithionite follows second-order kinetics. ► Dechlorinati... |
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Characterization of glutathione conjugates of chloroacetanilide pesticides using ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry and liquid chromatography/ion trap mass spectrometry.
Rapid Commun. Mass Spectrom. 21(24) , 4017-22, (2007) Glutathione S-transferases (GSTs) isolated from maize were used to catalyze the conjugation of glutathione (GSH) with chloroacetanilide herbicides, producing stable conjugates that were structurally c... |
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
来源:824
External Id:CYP273
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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实验名称:p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
来源:824
靶标:N/A
External Id:P53600
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实验名称:p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
来源:824
靶标:N/A
External Id:P53MS958
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实验名称:p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
来源:824
External Id:P53MS482
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实验名称:p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
来源:824
靶标:tumor suppressor p53 [Homo sapiens]
External Id:P53MS233
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| 2-Chloro-N-isopropylacetanilide |
| Satecid |
| N-isopropyl-2-chloroacetanilide |
| 2-Chloro-N-isopropyl-N-phenyl-acetamide |
| Niticid |
| N-isopropyl-N-phenyl-chloroacetamide |
| 2-Chloro-N-isopropyl-N-phenylacetamide |
| Prolex |
| Propachlore |
| 2-Chloro-N-(1-methylethyl)-N-phenylacetamide (9CI) |
| Nitacid |
| α-chloro-N-isopropylacetanilide |
| MFCD00078731 |
| EINECS 217-638-2 |
| Bexton |
| 2-chloro-N-(1-methylethyl)-N-phenylacetamide |
| 2-chloro-N-phenyl-N-(propan-2-yl)acetamide |
| n-isopropyl-a-chloroacetanilide |
| Bexton 4L |
| 2-chloro-N-phenyl-N-propan-2-ylacetamide |
| Ramrod |
| Propachlor |