菜草畏结构式
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常用名 | 菜草畏 | 英文名 | sulfallate |
|---|---|---|---|---|
| CAS号 | 95-06-7 | 分子量 | 223.78600 | |
| 密度 | 1.159g/cm3 | 沸点 | 264.3ºC at 760mmHg | |
| 分子式 | C8H14ClNS2 | 熔点 | N/A | |
| MSDS | 中文版 美版 | 闪点 | >100 °C | |
| 符号 |
GHS07, GHS08, GHS09 |
信号词 | Danger |
| 中文名 | 菜草畏 |
|---|---|
| 英文名 | sulfallate |
| 中文别名 | N,N-二乙基-2-氯丙烯二硫代氨基甲酸酯 | 菜草特 | 草克死 |
| 英文别名 | 更多 |
| 密度 | 1.159g/cm3 |
|---|---|
| 沸点 | 264.3ºC at 760mmHg |
| 分子式 | C8H14ClNS2 |
| 分子量 | 223.78600 |
| 闪点 | >100 °C |
| 精确质量 | 223.02600 |
| PSA | 60.63000 |
| LogP | 3.09880 |
| InChIKey | XJCLWVXTCRQIDI-UHFFFAOYSA-N |
| SMILES | C=C(Cl)CSC(=S)N(CC)CC |
| 外观性状 | 琥珀色液体 |
| 折射率 | 1.561 |
| 储存条件 | 库房通风低温干燥 |
| 稳定性 | Stable. Incompatible with alkalies, strong oxidizing agents. |
| 分子结构 | 1、 摩尔折射率:62.53 2、 摩尔体积(cm3/mol):193.0 3、 等张比容(90.2K):496.9 4、 表面张力(dyne/cm):43.8 5、 极化率(10-24cm3):24.79 |
| 计算化学 | 1、 疏水参数计算参考值(XlogP):3.1 2、 氢键供体数量:0 3、 氢键受体数量:0 4、 可旋转化学键数量:5 5、 互变异构体数量: 6、 拓扑分子极性表面积(TPSA):3.2 7、 重原子数量:12 8、 表面电荷:0 9、 复杂度:166 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 |
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菜草畏毒理学数据: 1、 急性毒性:大鼠经口LD50:850mg/kg;兔子经皮肤接触LD50:2200mg/kg; 2、慢性毒性/致癌性 大鼠经口TDLo:6825mg/kg/78W-C;小鼠经口TDLo:59mg/kg/78W-C;大鼠经口TD:11mg/kg/78W-I;小鼠经口TD:120mg/kg/78W-I; 1、 致突变性 微生物鼠伤寒沙门氏菌突变:10μL/plate; 微生物鼠伤寒沙门氏菌突变:10μg/plate; 微生物突变:1100μg/plate; 构巢曲霉突变:20μL/plate; 人淋巴细胞的DNA抑制:500mg/L; 大鼠细胞的DNA抑制:1mg/L; |
| 符号 |
GHS07, GHS08, GHS09 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H302-H350-H410 |
| 警示性声明 | P201-P273-P308 + P313-P501 |
| 个人防护装备 | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| 危害码 (欧洲) | T,N |
| 风险声明 (欧洲) | 45-22-50/53 |
| 安全声明 (欧洲) | 53-45-60-61 |
| 危险品运输编码 | UN3082 9/PG 3 |
| RTECS号 | EZ5075000 |
| 海关编码 | 2930200016 |
| 菜草畏上游产品 2 | |
|---|---|
| 菜草畏下游产品 0 | |
| 海关编码 | 2930200016 |
|---|---|
| 中文概述 | 2930200016 硫菌威、菜草畏。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% |
| Summary | 2930200016 2-chloroallyl diethylcarbamodithioate。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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Pesticides and cancer.
Cancer Causes Control 8(3) , 420-43, (1997) Epidemiologic evidence on the relationship between chemical pesticides and cancer is reviewed. In animal studies, many pesticides are carcinogenic, (e.g., organochlorines, creosote, and sulfallate) wh... |
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Sulfallate.
IARC Monogr. Eval. Carcinog. Risk Chem. Hum. 30 , 283-91, (1983)
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Sulfallate.
Rep. Carcinog. 12 , 392-3, (2011)
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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:Caspase-3/7 Activation Profiling of Human Lymphoblast Cell Lines
来源:NCGC
靶标:N/A
External Id:HAPC101
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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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| CDEC |
| Vegadex |
| Chlorallyl diethyldithiocarbamate |
| Vegedex |
| Diaethyl-dithiocarbamidsaeure-(2-chlor-allylester) |
| 2-chloroprop-2-enyl N,N-diethylcarbamodithioate |
| Caswell No. 180 |
| 2-Chloroallyl diethyldithiocarbamate |
| 2-chloroallyl N,N-diethyldithiocarbamate |
| Thioallate |
| 2-chloroallyl diethyl(dithiocarbamate) |
| 2-chloro-2-propen-1-yl N,N-diethylcarbamodithioate |
| EINECS 205-701-7 |
| MFCD00048530 |
| 2-chloroprop-2-en-1-yl diethylcarbamodithioate |
| diethyl-dithiocarbamic acid-(2-chloro-allyl ester) |
| SULFALLATE |
| Vegadex super |