1-[3,5-bis(trifluoromethyl)anilino]-3-methylthiourea

1-[3,5-bis(trifluoromethyl)anilino]-3-methylthiourea 基本信息
CAS号 24095-80-5 分子式 C10H9F6N3S
分子量 317.25400 精确质量 　317.04200
PSA 　75.22000 LogP 　4.02020
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目录
基本信息 物化性质 安全信息 合成路线 毒性 海关数据 上下游

基本信息 展开↓

CAS号：
24095-80-5
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分子式：
C10H9F6N3S
分子量：
317.25400
中文名称：
1-[3,5-bis(trifluoromethyl)anilino]-3-methylthiourea
英文名称：
1-[3,5-bis(trifluoromethyl)anilino]-3-methylthiourea
中文别名：
1-[3,5-bis(trifluoromethyl)anilino]-3-methylthiourea
英文别名：
1-[3,5-bis(trifluoromethyl)anilino]-3-methylthiourea;
Ciba 2696-Go;
C 2696-Go;
Go 2696
精确分子量/精确质量：
317.04200
极性分子表面积/PSA：
75.22000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: ORMMCUAXJAUNIG-UHFFFAOYSA-N

物化性质展开↓

密度：
1.475g/cm3
沸点：
258.5ºC at 760 mmHg
闪点：
110.1ºC
折射率：
1.515
蒸汽压：
0.0137mmHg at 25°C
存储条件/存储方法：
库房通风低温干燥,与氧化剂、酸类分开存放

安全信息展开↓

海关代码：
2930909090

合成路线查看所有的合成路线

  • 886-35-1

    3,5-双(三氟甲基)苯肼

  • +

  • 556-61-6

    异硫氰酸甲酯

  • →

  • 24095-80-5

    1-[3,5-bis(trifluoromethyl)anilino]-3-methylthiourea

  • 328-74-5

    间二(三氟甲基)苯胺

  • →

  • 24095-80-5

    1-[3,5-bis(trifluoromethyl)anilino]-3-methylthiourea

  • 90475-89-1

    Benzenediazonium, 3,5-bis(trifluoromethyl)-, chloride (1:1)

  • →

  • 24095-80-5

    1-[3,5-bis(trifluoromethyl)anilino]-3-methylthiourea

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VT3350000
CHEMICAL NAME :
Semicarbazide, 1-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro- 3,5-xylyl)-4-methyl- 3-thio-
CAS REGISTRY NUMBER :
24095-80-5
LAST UPDATED :
199612
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C10-H9-F6-N3-S
MOLECULAR WEIGHT :
317.28
WISWESSER LINE NOTATION :
SUYM1&MMR CXFFF EXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
414 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Behavioral - coma Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 23,797,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
212 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Behavioral - coma Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 23,797,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
269 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Behavioral - coma Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 23,797,1973
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 23,797,1973
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
>1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 23,797,1973 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
25 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 23,797,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
50 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 23,797,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
30 mg/kg
SEX/DURATION :
female 1-3 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 23,1243,1984
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
7500 ug/kg
SEX/DURATION :
female 1-3 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 23,1243,1984

海关数据查看详细

中国海关编码：2930909090

概述：
2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

上下游相关产品

上游产品

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  • 90475-89-1

    Benzenediazonium, 3,5-bis(trifluoromethyl)-, chloride (1:1)

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  • 886-35-1

    3,5-双(三氟甲基)苯肼

  • 556-61-6

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