氟苯乙砜

氟苯乙砜 基本信息
CAS号 2924-67-6 分子式 C8H9FO2S
分子量 188.21900 精确质量  188.03100
PSA  42.52000 LogP  2.70010

基本信息 展开↓

CAS号:
2924-67-6
3D弹球模型:
立即前往扯扯看
分子式:
C8H9FO2S
分子量:
188.21900
中文名称:
氟苯乙砜
英文名称:
1-ethylsulfonyl-4-fluorobenzene
中文别名:
氟苯乙砜;
对氟苯乙砜
英文别名:
1-ethylsulfonyl-4-fluorobenzene;
Fluoresone;
4-fluorophenyl ethyl sulfone;
Caducid;
Ethyl p-fluorophenyl sulfone;
Bripadon;
Sulfone,ethyl p-fluorophenyl;
1-ethanesulfonyl-4-fluorobenzene;
p-Fluorophenyl ethyl sulfone
精确分子量/精确质量:
188.03100
极性分子表面积/PSA:
42.52000
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。
EINECS:
220-889-0
InChI:
The Key: PRNNIHPVNFPWAH-UHFFFAOYSA-N

物化性质展开↓

密度:
1.238g/cm3
沸点:
307.5ºC at 760 mmHg
闪点:
139.8ºC
折射率:
1.503
蒸汽压:
0.00131mmHg at 25°C

安全信息展开↓

海关代码:
2904909090

合成路线查看所有的合成路线

  • 2924-75-6

    1-(Ethylthio)-4-fluorobenzene

  • ~77%

  • 2924-67-6

    氟苯乙砜

  • 1446235-57-9

    1446235-57-9

  • ~74%

  • 2924-67-6

    氟苯乙砜

  • 74-96-4

    溴乙烷

  • +

  • 349-88-2

    4-氟苯磺酰氯

  • ~61%

  • 2924-67-6

    氟苯乙砜

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WR6475000
CHEMICAL NAME :
Sulfone, ethyl p-fluorophenyl
CAS REGISTRY NUMBER :
2924-67-6
BEILSTEIN REFERENCE NO. :
2364075
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H9-F-O2-S
MOLECULAR WEIGHT :
188.23
WISWESSER LINE NOTATION :
WS2&R DF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
542 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NEPSBV Neuropsychopharmacology, Proceedings of the Meeting of the Collogium Internationale, Neuropsychopharmacologicum. (Excerpta Medica Foundation, P.O. Box 1126, Amsterdam, Netherlands) V.1- 1959- Volume(issue)/page/year: 3,326,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
343 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NEPSBV Neuropsychopharmacology, Proceedings of the Meeting of the Collogium Internationale, Neuropsychopharmacologicum. (Excerpta Medica Foundation, P.O. Box 1126, Amsterdam, Netherlands) V.1- 1959- Volume(issue)/page/year: 3,326,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NEPSBV Neuropsychopharmacology, Proceedings of the Meeting of the Collogium Internationale, Neuropsychopharmacologicum. (Excerpta Medica Foundation, P.O. Box 1126, Amsterdam, Netherlands) V.1- 1959- Volume(issue)/page/year: 3,317,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
110 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NEPSBV Neuropsychopharmacology, Proceedings of the Meeting of the Collogium Internationale, Neuropsychopharmacologicum. (Excerpta Medica Foundation, P.O. Box 1126, Amsterdam, Netherlands) V.1- 1959- Volume(issue)/page/year: 3,317,1962

海关数据查看详细

中国海关编码:2904909090

概述:
2904909090 其他烃的磺化、硝化、亚硝化衍生物(不论是否卤化). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):1.6

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积:42.5

7.重原子数量:12

8.表面电荷:0

9.复杂度:222

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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上游产品

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  • 2924-75-6

    1-(Ethylthio)-4-fluorobenzene

  • 74-96-4

    溴乙烷

  • 349-88-2

    4-氟苯磺酰氯

  • 75-03-6

    碘乙烷

  • 1446235-57-9

    4-[2-(2,4-difluorophenoxy)-5-(ethylsulfonyl)phenyl]-6-methyl-1,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one

下游产品

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