三己胺

三己胺 基本信息
CAS号 102-86-3 分子式 C18H39N
分子量 269.50900 精确质量  269.30800
PSA  3.24000 LogP  6.02930

基本信息 展开↓

CAS号:
102-86-3
3D弹球模型:
立即前往扯扯看
分子式:
C18H39N
分子量:
269.50900
中文名称:
三己胺
英文名称:
TRI-N-HEXYLAMINE
中文别名:
三己胺;
三正己胺
英文别名:
TRI-N-HEXYLAMINE;
1,1',1''-Nitrilotrihexane;
1-Hexanamine,N,N-dihexyl;
TrihexylaMine;
TRIHEXYLAMINE;
Tri-N-Hexylamine;
N-TRIHEXYLAMINE;
n,n-dihexyl-1-hexanamin;
tri-n-hexyl amine
精确分子量/精确质量:
269.30800
极性分子表面积/PSA:
3.24000
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。
贝尔斯坦号/MDL:
MFCD00009523
EINECS:
203-062-9
PubChem:
24889582
BRN:
1755828
InChI:
The Key: DIAIBWNEUYXDNL-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


用作溶剂、有机合成中间体。

用途简介


用途


用作溶剂、有机合成中间体。

物化性质展开↓

外观与性状:
无色至淡黄色液体
密度:
0.794 g/mL at 25 °C(lit.)
熔点:
<-75ºC
沸点:
150-159 °C12 mm Hg(lit.)
闪点:
>230 °F
折射率:
n20/D 1.442(lit.)
蒸汽压:
0.0103mmHg at 25°C
蒸汽密度:
9.3 (vs air)
存储条件/存储方法:

储存于阴凉、通风的库房。远离火种、热源。应与氧化剂、酸性物质等分开存放,切忌混储。配备相应品种和数量的消防器材。储区应备有泄漏应急处理设备和合适的收容材料。

稳定性相关:

避免与强氧化剂、酸接触。使用时应穿防护服。

其它信息:

1.      性状:无色液体,类似胺气味。

2.      密度(g/mL,20/4℃):0.798

3.      相对蒸汽密度(g/mL,空气=1):9.3

4.      熔点(ºC):<-75

5.      沸点(ºC,常压):163~265

6.      沸点(ºC,1.6KPa):150~159

7.      折射率(20ºC):1.442

8.      闪点(ºC):144

9.      自燃点或引燃温度(ºC):230

10.   蒸气压(mmHg,20ºC):<1

11.   爆炸上限(%,V/V):2.4

12.   爆炸下限(%,V/V):0.2

13.   溶解性:易溶于乙醇、乙醚,能溶于酸,微溶于水。

安全信息展开↓

包装等级:
III
风险类别:
9
海关代码:
2921199090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22;R34;R51/53
安全说明:
S26-S36-S61
安全标志:
S23:不要吸入蒸汽。
S36:穿戴合适的防护服装。
S61:避免排放到环境中。参考专门的说明/安全数据表。
危险标志:
Xi:Irritant;

合成路线查看所有的合成路线

  • 111-27-3

    正己醇

  • ~96%

  • 102-86-3

    三己胺

  • 143-16-8

    二已胺

  • +

  • 111-27-3

    正己醇

  • ~91%

  • 102-86-3

    三己胺

  • 111-26-2

    正己胺

  • ~91%

  • 102-86-3

    三己胺

化学图谱

  1. 三正己胺质谱(MS)

  2. 三正己胺核磁图(13CNMR)

  3. 三正己胺核磁图(1HNMR)

  4. 三正己胺红外图谱(IR1)

上一页 1/4 下一页

毒理性展开↓

毒理学数据:

1、    急性毒性:大鼠经口LD50:1150mg/kg

2、口服有毒。对眼睛、呼吸系统及皮肤有刺激性。

生态数据:

该物质对环境有危害,应特别注意对水体的污染。对水生物有毒。能对水环境引起不利的结果。

MSDS 展开↓

Name: Trihexylamine 98% Material Safety Data Sheet
Synonym:
CAS: 102-86-3
Section 1 - Chemical Product   MSDS Name:Trihexylamine 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
102-86-3 Trihexylamine 98% 203-062-9
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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 if irritation develops or persists. Flush skin with plenty of soap and water.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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:

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 water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 102-86-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Liquid
Color: clear, colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: < 1 mm Hg @ 20 deg
Viscosity: Not available.
Boiling Point: 263 - 265 deg C @ 760.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .7984g/cm3
Molecular Formula: C18H39N
Molecular Weight: 269.51

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 102-86-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Trihexylamine - 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
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
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# 102-86-3: No information available.
Canada
CAS# 102-86-3 is listed on Canada's DSL List.
CAS# 102-86-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 102-86-3 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:2921199090

概述:
2921199090 其他无环单胺及其衍生物及其盐。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:
2921199090 other acyclic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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


1、   摩尔折射率:89.16

2、   摩尔体积(cm3/mol):332.9

3、   等张比容(90.2K):733.9

4、   表面张力(dyne/cm):29.2

5、   介电常数:

6、   偶极距(10-24cm3):

7、 极化率:35.34

计算化学数据


1.疏水参数计算参考值(XlogP):7.3

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:15

5.互变异构体数量:无

6.拓扑分子极性表面积3.2

7.重原子数量:19

8.表面电荷:0

9.复杂度:127

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

上下游相关产品

上游产品

更多
  • 111-27-3

    正己醇

  • 628-73-9

    已腈

  • 111-26-2

    正己胺

  • 143-16-8

    二已胺

  • 109-67-1

    正戊烯

下游产品

更多
  • 404-90-0

    3-氟-4-甲氧基苯乙腈

  • 4746-32-1

    N-N-己基苯胺

  • 14287-94-6

    甲酰胺, N,N-二己基-

  • 66-25-1

    正己醛

  • 628-73-9

    已腈

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便