三戊胺

三戊胺 基本信息
CAS号 621-77-2 分子式 C15H33N
分子量 227.42900 精确质量  227.26100
PSA  3.24000 LogP  4.85900

基本信息 展开↓

CAS号:
621-77-2
3D弹球模型:
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分子式:
C15H33N
分子量:
227.42900
中文名称:
三戊胺
英文名称:
TRIAMYLAMINE
中文别名:
三戊胺;
三正戊胺
英文别名:
TRIAMYLAMINE;
TRI-N-PENTYLAMINE;
TRI-N-AMYLAMINE;
tripentylamine;
Triandrous;
tripenetyl-amine;
Tripentylamin;
Triamylamine mixed isomers;
n,n-dipentyl-1-pentanamin
精确分子量/精确质量:
227.26100
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:
MFCD00015270
EINECS:
210-705-7
PubChem:
24870780
BRN:
1744528
InChI:
InChI=1/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3

生产制备方法及用途展开↓

制备方法


精制方法:常含有其他戊胺类杂质。精制时用固体氢氧化钾干燥后,加金属钠精馏。

合成制备方法


精制方法:常含有其他戊胺类杂质。精制时用固体氢氧化钾干燥后,加金属钠精馏。

用途简介


用于防腐蚀剂、乳化剂、染料、杀虫剂等的制造。

用途


用于防腐蚀剂、乳化剂、染料、杀虫剂等的制造。

物化性质展开↓

外观与性状:
透明至黄色液体
密度:
0.782 g/mL at 25 °C(lit.)
沸点:
81-83 °C0.2 mm Hg(lit.)
闪点:
208 °F
折射率:
n20/D 1.436(lit.)
存储条件/存储方法:

存放在密封容器内,并放在阴凉,干燥处。

稳定性相关:

远离强氧化剂,强酸。具有叔胺的化学性质。加热时能溶解石蜡、巴西棕榈蜡,但冷却时固化。

其它信息:

1.       性状:无色或浅黄色透明液体。

2.       密度(g/mL,20/4℃):0.7907

3.       沸点(ºC,1.87kPa):130

4.       折射率(20ºC):1.4367

5.       黏度(mPa·s,20ºC):1.264

6.       闪点(ºC):102

7.       折射率:1.436

8.       蒸气压(kPa,26ºC):0.93

9.       蒸发热(KJ/kg): 330.7

10.    比热容(KJ/(kg·K) ,16ºC,定压): 2.14

11.    体膨胀系数(K-1):0.00091

12.    溶解性:不溶于水和甲醇,能与乙醇、乙醚、丙酮、乙酸乙酯、脂肪烃、芳香烃、固态油、矿物油、油酸、硬脂酸等混溶。

安全信息展开↓

包装等级:
III
风险类别:
8
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:
R36/37/38
安全说明:
S26-S36-S45-S36/37/39
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。
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:
Xi,C

合成路线查看所有的合成路线

  • 693-03-8

    N-BUTYLMAGNESIUM BROMIDE

  • +

  • 121238-82-2

    tris(benzotriazol-1-ylmethyl)amine

  • ~41%

  • 621-77-2

    三戊胺

  • 110-58-7

    正戊胺

  • ~13%

  • 621-77-2

    三戊胺

  • +

  • 2050-92-2

    二戊胺

  • 110-58-7

    正戊胺

  • 621-77-2

    三戊胺

  • +

  • 2050-92-2

    二戊胺

化学图谱

  1. 三戊胺质谱(MS)

  2. 三戊胺核磁图(13CNMR)

  3. 三戊胺核磁图(1HNMR)

  4. 三戊胺红外图谱(IR1)

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MSDS 展开↓

Name: Tripentylamine 99% Material Safety Data Sheet
Synonym: Tri-n-amylamine
CAS: 621-77-2
Section 1 - Chemical Product   MSDS Name:Tripentylamine 99% Material Safety Data Sheet
Synonym:Tri-n-amylamine

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
621-77-2 Tripentylamine 99 210-705-7
Hazard Symbols: XI
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
Causes eye burns. Low vapor concentrations may cause a temporary visual disturbance known as 'blue haze' or 'halo vision'.
Skin:
Harmful if absorbed through the skin. Causes skin burns. Causes symptoms similar to those of inhalation. Amines have been known to cause skin irritation and sensitization.
Ingestion:
May cause severe irritation of the digestive tract. Ingestion may cause headache, nausea, and vomiting.
Inhalation:
Causes respiratory tract irritation. May cause pulmonary edema and severe respiratory disturbances. May cause central nervous system effects such as nausea and headache.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

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:
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. Use water spray to keep fire-exposed containers cool. Combustible liquid and vapor. Approach fire from upwind to avoid hazardous vapors and toxic decomposition products.
Extinguishing Media:
Water or foam may cause frothing. 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. Remove all sources of ignition.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Keep away from heat and flame. Do not breathe vapor or mist.
Storage:
Keep away from sources of ignition. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Use a corrosion-resistant ventilation system.
Exposure Limits CAS# 621-77-2: Personal Protective Equipment Eyes: Wear chemical splash goggles.
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 to pale yellow
Odor: ammonia-like
pH: Not available.
Vapor Pressure: 0.03 mm Hg @ 20 deg C
Viscosity: Not available.
Boiling Point: 240 deg C @ 760 mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 91 deg C ( 195.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: slightly soluble in water
Specific Gravity/Density: 0.7907
Molecular Formula: C15H33N
Molecular Weight: 227.43

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures. Amines absorb carbon dioxide from the air to form carbamate salts.
Conditions to Avoid:
Ignition sources, excess heat, Many amines are corrosive to copper, copper alloys (e.g. brass), aluminum, zinc, zinc alloys, galvanized surfaces..
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, acid chlorides, acid anhydrides.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 621-77-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Tripentylamine - 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: XI
Risk Phrases:
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 621-77-2: No information available.
Canada
CAS# 621-77-2 is listed on Canada's DSL List.
CAS# 621-77-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 621-77-2 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:75.26

2、   摩尔体积(cm3/mol):283.3

3、   等张比容(90.2K):654.6

4、   表面张力(dyne/cm):28.4

5、   极化率(10-24cm3):29.83

计算化学数据


1.疏水参数计算参考值(XlogP):5.6

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:12

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:16

8.表面电荷:0

9.复杂度:98.8

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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