102-86-3 (三正己胺,Trihexylamine)

结构式:
CAS号:
102-86-3
中文名称:
三正己胺
英文名称:
Trihexylamine
安全信息:
分子式:
C18H39N
分子量:
269.508965730667
简介:
三正己胺,化学药品,Tri-n-hexylamine,分子式C18H39N,分子量269.52,主要用作溶剂、有机合成中间体。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。

三正己胺(102-86-3)名称与标识符

名称

中文别名:
三正己胺;三己胺;三已胺;三己胺[离子对色谱用试剂];3-氨基-5-溴-2-羟基苯甲酸甲酯;N,N-二己基-1-己胺;Trihexylamine 三己胺;Trihexylamine [Reagent for Ion-Pair Chromatography] 三己胺[离子对色谱用试剂];Trihexylamine,certified 标准品;三-N-己基胺;三正己基胺;三己胺(THA);三正己胺,97%;
英文别名:
Tri-n-hexylamine;Trihexylamine [Reagent for Ion-Pair Chromatography];Trihexylamine;1,1',1''-Nitrilotrihexane;1-Hexanamine,N,N-dihexyl;n,n-dihexyl-1-hexanamin;N-TRIHEXYLAMINE;N,N-Dihexyl-1-hexanamine;NSC 409786;Tri(hex-1-yl)amine;Tri-n-hexylamineHPLC;Trihexylamine,98%;TrihexylaMine 96%;D91131;NSC409786;DTXSID8059263;Trihexylamine, 96%;DTXSID301022397;T0442;UNII-A9392WA249;CS-0314367;1-Hexanamine,N-dihexyl-;AI3-16575;SCHEMBL36579;MFCD00009523;Trihexylamine, technical, >=95.0% (GC);N,N-dihexylhexan-1-amine;N,N-Dihexyl-1-hexanamine #;Trihexylamine, purum, >=97.0% (GC);J-525119;EINECS 268-224-3;FT-0600043;A9392WA249;102-86-3;J-000823;AMINE,TRIHEXYL;NS00023184;68038-01-7;I0360;InChI=1/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H;AKOS015904366;Q27273788;AS-76668;NSC-409786;1-Hexanamine, N,N-dihexyl-;EINECS 203-062-9;DTXCID1032692;1Hexanamine, N,Ndihexyl;

标识符

MDL:
MFCD00009523
InChIKey:
DIAIBWNEUYXDNL-UHFFFAOYSA-N
Inchi:
1S/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
SMILES:
N(CCCCCC)(CCCCCC)CCCCCC
BRN:
1755828

三正己胺(102-86-3)物化性质

实验特性

  • LogP : 6.02930
  • PSA : 3.24000
  • 折射率 : n20/D 1.442(lit.)
  • 水溶性 : Slightly miscible with water.
  • 沸点 : 265°C(lit.)
  • 熔点 : <-75°C
  • 蒸气压 : <1 mmHg ( 20 °C)
  • 闪点 : 华氏:235.4 °F
    摄氏:113 °C
  • 溶解度 : Insuluble (4.6E-3 g/L) (25 ºC),
  • 颜色与性状 : 无色液体,类似胺气味。
  • 溶解性 : 易溶于乙醇、乙醚,能溶于酸,微溶于水。
  • 密度 : 0.794 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 269.30800
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 15
  • 同位素质量 : 269.308
  • 重原子数量 : 19
  • 复杂度 : 127
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 7.3
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 3.2A^2

三正己胺(102-86-3)安全信息

三正己胺(102-86-3)国际标准相关数据

EINECS:
203-062-9

三正己胺(102-86-3)海关数据

海关编码:
2921199090
海关数据:

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

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%

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三正己胺(102-86-3)相关文献

三正己胺(102-86-3)参考资料

Reaxys RN:
1755828
Beilstein:
4(4)711
PubChem CID:

三正己胺(102-86-3) MSDS

基础信息

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