9-肼基吖啶

9-肼基吖啶 基本信息
CAS号 3407-93-0 分子式 C13H11N3
分子量 209.24700 精确质量  209.09500
PSA  50.94000 LogP  3.44690

基本信息 展开↓

CAS号:
3407-93-0
3D弹球模型:
立即前往扯扯看
分子式:
C13H11N3
分子量:
209.24700
中文名称:
9-肼基吖啶
英文名称:
acridin-9-ylhydrazine
中文别名:
9-肼基吖啶;
9-吖啶基肼;
吖啶,9-肼基-;
吖啶-9-基肼;
对-肼基吖啶
英文别名:
acridin-9-ylhydrazine;
ACRIDINE,9-HYDRAZINO;
p-Hydrazinoacridine;
9-idrazinoacridina;
acridin-9-yl hydrazine;
acridine-9-ylhydrazine;
Acridine,9-hydrazinyl;
9-hydrazino-acridine
精确分子量/精确质量:
209.09500
极性分子表面积/PSA:
50.94000
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。
InChI:
The Key: SVANEUDZNISLJD-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


用9-氯代吖啶在铂及少量碱存在下与肼加热制得。

合成制备方法


9-氯代吖啶在铂及少量碱存在下与肼加热制得。

 

用途简介


用作有机合成中间体。

用途


 

    用作有机合成中间体。

物化性质展开↓

外观与性状:
橙色至棕色晶体或结晶粉末
密度:
1.328g/cm3
熔点:
177ºC
沸点:
475.9ºC at 760mmHg
闪点:
241.6ºC
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。冷藏温度为-20 ºC

稳定性相关:

常温常压下稳定,避免与不相容材料,水分接触。
与强氧化剂反应。

其它信息:

1.      性状:黄色或棕色醋酸气味的固体

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):177

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,12mmHg):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºC):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(mPa,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

安全信息展开↓

海关代码:
2933990090
危险类别码:
R28
安全说明:
45-36/37/39-28A-1
安全标志:
S1:保持封闭。
S28:接触皮肤之后,立即使用大量皂液洗涤。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
T+: Very toxic;Xi: Irritant;

合成路线查看所有的合成路线

  • 1207-69-8

    9-氯吖啶

  • ~85%

  • 3407-93-0

    9-肼基吖啶

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AR9321500
CHEMICAL NAME :
Acridine, 9-hydrazino-
CAS REGISTRY NUMBER :
3407-93-0
BEILSTEIN REFERENCE NO. :
0172911
LAST UPDATED :
199710
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H11-N3
MOLECULAR WEIGHT :
209.27

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
12 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRZKAP Farmatsevtichnii Zhurnal (Kiev). (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.3- 1930- Volume(issue)/page/year: (4),40,1984
毒理学数据:

1、急性毒性:大鼠LD5012mg/kg

MSDS 展开↓

Name: 9-Hydrazinoacridine hydrochloride 98% Material Safety Data Sheet
Synonym:
CAS: 3407-93-0
Section 1 - Chemical Product   MSDS Name:9-Hydrazinoacridine hydrochloride 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3407-93-0 9-Hydrazinoacridine hydrochloride 98% unlisted
Hazard Symbols: T+
Risk Phrases: 23/24 28

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation and in contact with skin. Very toxic if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Toxic in contact with skin.
Ingestion:
May be fatal if swallowed. May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation. Toxic if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Deep freeze (below -20C). Poison room locked.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3407-93-0: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystalline powder
Color: ochre
Odor: acetic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 301-305 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H11N3.HCl
Molecular Weight: 245.71

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, moisture.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3407-93-0: AR9321500 LD50/LC50:
Not available.
Carcinogenicity:
9-Hydrazinoacridine hydrochloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: I
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: I
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+
Risk Phrases:
R 23/24 Toxic by inhalation and in contact with
skin.
R 28 Very toxic if swallowed.
Safety Phrases:
S 1 Keep locked up.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 38 In case of insufficient ventilation, wear
suitable respiratory equipment.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 3407-93-0: No information available.
Canada
CAS# 3407-93-0 is listed on Canada's NDSL List.
CAS# 3407-93-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3407-93-0 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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↓

计算化学数据


1.疏水参数计算参考值(XlogP):2.8

2.氢键供体数量:2

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:2

6.拓扑分子极性表面积50.9

7.重原子数量:16

8.表面电荷:0

9.复杂度:221

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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