N-甲基二丁炔呋喃

N-甲基二丁炔呋喃 基本信息
CAS号 3405-45-6 分子式 C9H21N
分子量 143.27000 精确质量 　143.16700
PSA 　3.24000 LogP 　2.51840
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目录
基本信息 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：
3405-45-6
3D弹球模型：
立即前往扯扯看
分子式：
C9H21N
分子量：
143.27000
中文名称：
N-甲基二丁炔呋喃
英文名称：
N-butyl-N-methylbutan-1-amine
中文别名：
N-甲基二丁炔呋喃;
N-甲基二正丁胺;
N-甲基二丁胺;
N,N-二正丁基甲胺;
二丁基甲胺
英文别名：
N-butyl-N-methylbutan-1-amine;
Dibutylmethylamine;
N,N-Dibutylmethylamine;
N-Methyldi-n-butylamine;
methyl dibutyl amine;
N-methyl-di-1-butylamine;
EINECS 222-288-9;
N-Methyldibutylamine;
N,N-dibutyl-N-methylamine;
di-1-butylmethylamine;
1-Butanamine,N-butyl-N-methyl;
DIBUTYLAMINE,N-METHYL
精确分子量/精确质量：
143.16700
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：
MFCD00009430
EINECS：
222-288-9
PubChem：
24858650
InChI：
The Key: MTHFROHDIWGWFD-UHFFFAOYSA-N

物化性质展开↓

密度：
0.777g/cm3
沸点：
164.6ºC at 760mmHg
闪点：
42.2ºC
折射率：
n20/D 1.4178(lit.)
存储条件/存储方法：

常温， 避光，通风干燥处，密封保存

稳定性相关：

常温常压下稳定

其它信息：

1.       性状：无色液体

2.       密度（g/mL,25/4℃）：0.745

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：未确定

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC,5.2kPa）：49-51

7.       折射率：n20/D 1.4178

8.       闪点（ºC）：42.2

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↓

包装等级：
II
海关代码：
2921199090
危险类别码：
R10
安全标志：
S16:远离火源。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S27:立刻除去所有污染衣物。
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：
C,F,Xi

合成路线查看所有的合成路线

  • 110-68-9

    甲基丁胺

  • →

    ~80%

  • 927-62-8

    N,N-二甲基丁胺

  • +

  • 3405-45-6

    N-甲基二丁炔呋喃

  • 50-00-0

    甲醛

  • +

  • 111-92-2

    二正丁胺

  • →

    ~78%

  • 3405-45-6

    N-甲基二丁炔呋喃

  • 927-62-8

    N,N-二甲基丁胺

  • →

    ~68%

  • 3405-45-6

    N-甲基二丁炔呋喃

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HR8225000
CHEMICAL NAME :
Dibutylamine, N-methyl-
CAS REGISTRY NUMBER :
3405-45-6
BEILSTEIN REFERENCE NO. :
1733494
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C9-H21-N
MOLECULAR WEIGHT :
143.31
WISWESSER LINE NOTATION :
4N4&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
540 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
250 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
880 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
毒理学数据：

急性毒性：

大鼠口经LD50：540uL/kg；

大鼠吸入LCLo： 250 ppm/4H；

兔子皮肤注射LD50：880uL/kg。

生态数据：

该物质对环境可能有危害，对水体应给予特别注意

MSDS 展开↓

Name: N-Methyldibutylamine 99% Material Safety Data Sheet
Synonym:
CAS: 3405-45-6
Section 1 - Chemical Product   MSDS Name:N-Methyldibutylamine 99% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3405-45-6 N-Methyldibutylamine 99% 222-288-9
Hazard Symbols: C
Risk Phrases: 10 22 34
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable. Harmful if swallowed. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
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:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
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. Flammable liquid and vapor.
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. Remove all sources of ignition.
Use a spark-proof tool.
Section 7 - HANDLING and STORAGE
  Handling:
Use spark-proof tools and explosion proof equipment. 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.
Flammables-area.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3405-45-6: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 49 - 51 deg C @ 10.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 42 deg C ( 107.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .7450g/cm3
Molecular Formula: (CH3CH2CH2CH2)2NCH3
Molecular Weight: 143.31
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, ignition sources.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3405-45-6: HR8225000 LD50/LC50:
CAS# 3405-45-6: Oral, rat: LD50 = 540 uL/kg; Skin, rabbit: LD50 = 880 uL/kg.
Carcinogenicity:
N-Methyldibutylamine - 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: AMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S.*
Hazard Class: 8 (3)
UN Number: 2734
Packing Group: II
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S.
Hazard Class: 8 (3)
UN Number: 2734
Packing Group: II
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S.
Hazard Class: 8 (3)
UN Number: 2734
Packing group: II
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 10 Flammable.
R 22 Harmful if swallowed.
R 34 Causes burns.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 25 Avoid contact with eyes.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 3405-45-6: No information available.
Canada
CAS# 3405-45-6 is listed on Canada's NDSL List.
CAS# 3405-45-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3405-45-6 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：47.46

2、   摩尔体积（m3/mol）：184.3

3、   等张比容（90.2K）：415.9

4、   表面张力（dyne/cm）：25.9

5、   极化率（10-24cm3）：18.81

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:0

3.氢键受体数量:1

4.可旋转化学键数量:6

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:10

8.表面电荷:0

9.复杂度:53.7

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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