氟苯乙砜
- 中文名称：
- 氟苯乙砜
- 中文别名：
- 氟苯乙砜;
对氟苯乙砜
- 英文名称：
- Benzene,1-(ethylsulfonyl)-4-fluoro-
- 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
- CAS No.：
- 2924-67-6
- 分 子 式：
-
C8H9FO2S
- 分 子 量：
- 188.23
- 精确分子量：
- 188.03100
- PSA：
- 42.52000
- EINECS：
- 220-889-0
- InChI：
- The Key: PRNNIHPVNFPWAH-UHFFFAOYSA-N3
- 安全术语：
- Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. Used as an anti-epileptic agent and as a tranquilizer. When heated to decomposition it emits very toxic fumes of F− and SOx. See also FLUORIDES.
- 分子结构式：
-
- SDS：
- 查看
氟苯乙砜 物化性质
- 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
氟苯乙砜 毒理性
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
氟苯乙砜 海关数据
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%
氟苯乙砜 分子结构与计算化学数据
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
