苯乙肼

苯乙肼 基本信息
CAS号 51-71-8 分子式 C8H12N2
分子量 136.19400 精确质量  136.10000
PSA  38.05000 LogP  1.78360

基本信息 展开↓

CAS号:
51-71-8
3D弹球模型:
立即前往扯扯看
分子式:
C8H12N2
分子量:
136.19400
中文名称:
苯乙肼
英文名称:
2-phenylethylhydrazine
中文别名:
苯乙肼;
2-苯乙基肼
英文别名:
2-phenylethylhydrazine;
Fenelzina;
Phenelzinum;
N-(2-phenylethyl)hydrazine;
Hydrazine,(2-phenylethyl);
Nardil;
Fenelzyne;
Fenelzyna;
Phenelzine;
phenethyl hydrazine
精确分子量/精确质量:
136.10000
极性分子表面积/PSA:
38.05000
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:
200-117-9
InChI:
The Key: RMUCZJUITONUFY-UHFFFAOYSA-N

物化性质展开↓

密度:
1.01 g/cm3
沸点:
281.4ºC at 760 mmHg
闪点:
143.7ºC

安全信息展开↓

海关代码:
2928000090
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 60-12-8

    苯乙醇

  • 51-71-8

    苯乙肼

  • 103-63-9

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  • 51-71-8

    苯乙肼

  • 622-24-2

    (2-氯乙基)苯

  • 51-71-8

    苯乙肼

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MV8400000
CHEMICAL NAME :
Hydrazine, phenethyl-
CAS REGISTRY NUMBER :
51-71-8
BEILSTEIN REFERENCE NO. :
0742354
LAST UPDATED :
199801
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C8-H12-N2
MOLECULAR WEIGHT :
136.22
WISWESSER LINE NOTATION :
ZM2R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
39600 ug/kg/44D-I
TOXIC EFFECTS :
Behavioral - hallucinations, distorted perceptions Behavioral - toxic psychosis Behavioral - muscle contraction or spasticity
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
7500 ug/kg
TOXIC EFFECTS :
Behavioral - ataxia Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Liver - fatty liver degeneration
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
130 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
135 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
122 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
450 mg/kg
SEX/DURATION :
male 4 day(s) pre-mating female 4 day(s) pre-mating - 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated) Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
175 mg/kg
SEX/DURATION :
female 16-22 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - stillbirth Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
250 mg/kg
SEX/DURATION :
female 7-16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
200 mg/kg
SEX/DURATION :
female 10-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
38800 ug/kg/24H
REFERENCE :
IMSCE2 IRCS Medical Science. (Lancaster, UK) V.12-14, 1984-86. For publisher information, see MSCREJ. Volume(issue)/page/year: 14,1052,1986

海关数据查看详细

中国海关编码:2928000090

概述:
2928000090 其他肼(联氨)及胲(羟胺)的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。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
摘要/Summary:
2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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:2

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38

7.重原子数量:10

8.表面电荷:0

9.复杂度:77.3

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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