4-吡啶甲醛缩氨基硫脲

4-吡啶甲醛缩氨基硫脲 基本信息
CAS号 1200-00-6 分子式 C7H8N4S
分子量 180.23000 精确质量  180.04700
PSA  95.39000 LogP  1.33990

基本信息 展开↓

CAS号:
1200-00-6
3D弹球模型:
立即前往扯扯看
分子式:
C7H8N4S
分子量:
180.23000
中文名称:
4-吡啶甲醛缩氨基硫脲
英文名称:
isonicotinaldehyde thiosemicarbazone
中文别名:
4-吡啶甲醛缩氨基硫脲;
isonicotinaldehyde thiosemicarbazone
英文别名:
isonicotinaldehyde thiosemicarbazone;
4-formylpyridine thiosemicarbazone;
pyridine-4-carbaldehyde thiosemicarbazone;
1-(4-Pyridylmethylene)thiosemicarbazide;
Pyridin-4-carbaldehyd-thiosemicarbazon;
ISONICOTINALDEHYDE THIOSEMICARBAZONE
精确分子量/精确质量:
180.04700
极性分子表面积/PSA:
95.39000
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:
214-848-6
InChI:
The Key: QTSJJDIDTYFLFC-UHFFFAOYSA-N

物化性质展开↓

密度:
1.32g/cm3
沸点:
346.5ºC at 760 mmHg
闪点:
163.3ºC
折射率:
1.665
蒸汽压:
5.74E-05mmHg at 25°C

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 1570-45-2

    异烟酸乙酯

  • 1200-00-6

    4-吡啶甲醛缩氨基硫脲

  • 586-95-8

    4-吡啶甲醇

  • 1200-00-6

    4-吡啶甲醛缩氨基硫脲

  • 79-19-6

    灭鼠特

  • 1200-00-6

    4-吡啶甲醛缩氨基硫脲

化学图谱

  1. 4-吡啶甲醛缩氨基硫脲红外图谱(IR1)

  2. 4-吡啶甲醛缩氨基硫脲红外图谱(IR2)

  3. 4-吡啶甲醛缩氨基硫脲质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NR9450000
CHEMICAL NAME :
Isonicotinaldehyde thiosemicarbazone
CAS REGISTRY NUMBER :
1200-00-6
BEILSTEIN REFERENCE NO. :
0132697
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C7-H8-N4-S
MOLECULAR WEIGHT :
180.25
WISWESSER LINE NOTATION :
T6NJ D1UNMYZUS

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 :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,676,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
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 :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01772

海关数据查看详细

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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↓

分子结构数据


1、  摩尔折射率:50.65

2、  摩尔体积(cm3/mol):136.2

3、  等张比容(90.2K):365.0

4、  表面张力(dyne/cm):51.4

5、  极化率(10-24cm3):20.08

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