盐酸异丙基胍

盐酸异丙基胍 基本信息
CAS号 22007-68-7 分子式 C4H11ClN2
分子量 122.59700 精确质量 　122.06100
PSA 　49.87000 LogP 　2.18040
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
22007-68-7
3D弹球模型：
立即前往扯扯看
分子式：
C4H11ClN2
分子量：
122.59700
中文名称：
盐酸异丙基胍
英文名称：
2-methylpropanimidamide,hydrochloride
中文别名：
盐酸异丙基胍;
盐酸异丁脒;
异丁脒盐酸盐;
2-甲基丙胺酰亚胺盐酸盐
英文别名：
2-methylpropanimidamide,hydrochloride;
2-methylpropanimidamide hydrochloride;
2-Methylpropanimidamidehydrochloride;
sOTHIaDHKuP@;
isopropyl-carbamidine hydrochloride;
isobutyramidine,hydrochloride;
isobutyrimidamide hydrochloride;
isopropyl amidine hydrochloride;
2-methylpropionamidine hydrochloride;
2-methylpropanamidine,chloride;
isobutanamidine hydrochloride;
2-Methylpropionamidine HCl;
2-amidinopropane hydrochloride
精确分子量/精确质量：
122.06100
极性分子表面积/PSA：
49.87000
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: VWXLCWNPSOUPPE-UHFFFAOYSA-N

生产制备方法及用途展开↓

合成制备方法


用途


物化性质展开↓

密度：
0.97g/cm3
熔点：
159ºC
沸点：
108.8ºC at 760 mmHg
闪点：
19.6ºC
折射率：
1.466
蒸汽压：
25.5mmHg at 25°C
存储条件/存储方法：


稳定性相关：


其它信息：

1. 性状：未确定

2. 密度（g/mL,25/4℃）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：159

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,5.2kPa）： 未确定

7. 折射率： 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（kPa,25ºC）： 未确定

12. 饱和蒸气压（kPa,60ºC）： 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：
2925290090
危险类别码：
36/37/38
安全说明：
26-36/37/39
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:
危险标志：
Xi: Irritant;

合成路线查看所有的合成路线

  • 78-82-0

    异丁腈

  • →

  • 22007-68-7

    盐酸异丙基胍

毒理性展开↓

毒理学数据：


生态数据：


MSDS 展开↓

Name: 2-Methylpropanimidamide hydrochloride 95+% Material Safety Data Sheet
Synonym: Isopropylcarbamidine hydrochlorid
CAS: 22007-68-7
Section 1 - Chemical Product   MSDS Name:2-Methylpropanimidamide hydrochloride 95+% Material Safety Data Sheet
Synonym:Isopropylcarbamidine hydrochlorid
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
22007-68-7 2-Methylpropanimidamide hydrochloride 95+% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.
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 foam, dry chemical, or carbon dioxide.
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:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 22007-68-7: 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: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 158 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: C4H11ClN2
Molecular Weight: 122.5434
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents, bases, acid chlorides.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 22007-68-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methylpropanimidamide hydrochloride - Not listed by ACGIH, IARC, or NTP.
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
No information available.
IMO
No information available.
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 22007-68-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 22007-68-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 22007-68-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2925290090

概述：
2925290090 其他亚胺及其衍生物，以及它们的盐。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:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


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:3

3.氢键受体数量:1

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49.9

7.重原子数量:7

8.表面电荷:0

9.复杂度:56.6

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:2

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