氯环嗪

氯环嗪 基本信息
CAS号 82-93-9 分子式 C18H21ClN2
分子量 300.82600 精确质量 　300.13900
PSA 　6.48000 LogP 　3.55260
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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 结构与计算数据 上下游

基本信息 展开↓

CAS号：
82-93-9
3D弹球模型：
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分子式：
C18H21ClN2
分子量：
300.82600
中文名称：
氯环嗪
英文名称：
1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine
中文别名：
氯环嗪;
氯苯甲嗪
英文别名：
1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine;
Trihistan;
Chlorcycline;
Chlorocycline;
Alergicide;
Histantine;
Diparalene;
1-(4-chloro-benzhydryl)-4-methyl-piperazine;
Histachlorazene;
chlorcyclizine;
Perazyl;
1-[(4-chlorophenyl)(phenyl)methyl]-4-methylpiperazine;
Chlorocyclizine
精确分子量/精确质量：
300.13900
极性分子表面积/PSA：
6.48000
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：
201-446-0
InChI：
The Key: WFNAKBGANONZEQ-UHFFFAOYSA-N

物化性质展开↓

沸点：
137-145ºC at 0.1-0.15 MM HG
存储条件/存储方法：
库房低温通风干燥

安全信息展开↓

海关代码：
2933599090

合成路线查看所有的合成路线

  • 38111-44-3

    苯基溴化锌

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  • 100-52-7

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    ~54%

  • 82-93-9

    氯环嗪

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    N-甲基哌嗪

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  • 100-52-7

    苯甲醛

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  • 150766-93-1

    bromozinc(1+),chlorobenzene

  • →

    ~34%

  • 82-93-9

    氯环嗪

  • 64-18-6

    Formic acid

  • →

  • 82-93-9

    氯环嗪

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TL1925000
CHEMICAL NAME :
Piperazine, 1-(p-chloro-alpha-phenylbenzyl)-4-methyl-
CAS REGISTRY NUMBER :
82-93-9
BEILSTEIN REFERENCE NO. :
0272719
LAST UPDATED :
199612
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C18-H21-Cl-N2
MOLECULAR WEIGHT :
300.86
WISWESSER LINE NOTATION :
T6N DNTJ AYR&R DG& D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
160 mg/kg
SEX/DURATION :
female 13-16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
200 mg/kg
SEX/DURATION :
female 13-16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - homeostasis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
755 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - body wall Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
330 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1890 mg/kg
SEX/DURATION :
female 21 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
240 mg/kg
SEX/DURATION :
female 18-25 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 - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
440 mg/kg
SEX/DURATION :
female 15-25 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
50 mg/kg
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 171,109,1970 *** REVIEWS *** TOXICOLOGY REVIEW FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 35,89,1976 TOXICOLOGY REVIEW JRPMAP Journal of Reproductive Medicine. (2 Jacklynn Ct., St. Louis, MO 63132) V.3- 1969- Volume(issue)/page/year: 12,27,1974 TOXICOLOGY REVIEW ADVPA3 Advances in Pharmacology. (New York, NY) V.1-6, 1962-68. For publisher information, see AVPCAQ. Volume(issue)/page/year: 4,263,1966

海关数据查看详细

中国海关编码：2933599090

概述：
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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:20.0%
申报要素：
品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
摘要/Summary：
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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）:无

2.氢键供体数量:0

3.氢键受体数量:2

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:6.5

7.重原子数量:21

8.表面电荷:0

9.复杂度:300

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:1

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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