(R)-(-)-仲丁胺

(R)-(-)-仲丁胺 基本信息
CAS号 13250-12-9 分子式 C4H11N
分子量 73.13680 精确质量  73.08910
PSA  26.02000 LogP  1.44390

等价的CAS号:

513-49-5,13250-12-9,13952-84-6,33966-50-6

基本信息 展开↓

CAS号:
13250-12-9
3D弹球模型:
立即前往扯扯看
分子式:
C4H11N
分子量:
73.13680
中文名称:
(R)-(-)-仲丁胺
英文名称:
(R)-(-)-2-Aminobutane
中文别名:
(R)-(-)-仲丁胺;
(R)-(-)-2-氨基丁烷;
(R)-(-)-2-丁胺
英文别名:
(R)-(-)-2-Aminobutane;
(R)-(-)-sec-ButylaMine;
D-Valinol
精确分子量/精确质量:
73.08910
极性分子表面积/PSA:
26.02000
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:
MFCD00064416
EINECS:
236-232-6
PubChem:
24857863
BRN:
1718760
InChI:
InChI=1/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m0/s1

物化性质展开↓

外观与性状:
透明无色液体
密度:
0.72
熔点:
-104ºC
沸点:
57-60ºC
闪点:
-19ºC
水溶解性:
> 10 mg/L
折射率:
1.3926-1.3946
蒸汽压:
175mmHg at 25°C
存储条件/存储方法:

常温密闭,阴凉通风干燥

稳定性相关:

常温常压下稳定

避免的物料 氧化物 酸 空气 二氧化碳

其它信息:

1.        性状:无色液体,类似氨的气味

2.        密度(g/mL,25):0.73

3.        相对蒸汽密度(g/mL,空气=1):未确定

4.        熔点(ºC):-105

5.        沸点(ºC,常压):63

6.        沸点(ºC41mmHg):未确定

7.        折射率: 1.393

8.        闪点(ºC):-19

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(20ºC):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:溶于水

安全信息展开↓

包装等级:
II
风险类别:
3
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:
R11;R20/22;R35;R50
安全说明:
S16-S26-S28-S36/37/39-S45-S61-S9
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。
S28:接触皮肤之后,立即使用大量皂液洗涤。
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)。
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:
F:Flammable;C:Corrosive;N:Dangerousfortheenvironment;

合成路线查看所有的合成路线

  • 33966-50-6

    丁胺

  • ~97%

  • 13250-12-9

    (R)-(-)-仲丁胺

  • 33966-50-6

    丁胺

  • +

  • 113-24-6

    丙酮酸钠

  • ~35%

  • 13250-12-9

    (R)-(-)-仲丁胺

  • +

  • 56-41-7

    L-丙氨酸

  • 33966-50-6

    丁胺

  • 13250-12-9

    (R)-(-)-仲丁胺

  • +

  • 78-93-3

    2-丁酮

毒理性展开↓

毒理学数据:

主要的刺激性影响:

在皮肤上面:刺激皮肤和粘膜

在眼睛上面:刺激的影响

致敏作用:没有已知的敏化现象

生态数据:

对水体是极其有害的,即使小量产品也不能接触地下水,水道或污水系统, 若无政府许可,勿将材料排入周围环境

MSDS 展开↓

Name: (R)-(-)-2-Aminobutane 98% Material Safety Data Sheet
Synonym: (R)-Sec-Butylamine
CAS: 13250-12-9
Section 1 - Chemical Product   MSDS Name:(R)-(-)-2-Aminobutane 98% Material Safety Data Sheet
Synonym:(R)-Sec-Butylamine

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13250-12-9 (R)-(-)-2-Aminobutane 98 236-232-6
Hazard Symbols: F C N
Risk Phrases: 11 20/22 35 50

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable. Harmful by inhalation and if swallowed. Causes severe burns. Very toxic to aquatic organisms.Corrosive.Dangerous for the environment.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause cyanosis of the extremities. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. Ingestion of large amounts may cause CNS depression. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. May cause systemic effects. May cause burning sensation in the chest.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
  Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. 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 immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Containers may explode in the heat of a fire.
Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water.

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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

Section 7 - HANDLING and STORAGE
  Handling:
Use only in a well-ventilated area. Ground and bond containers when transferring material. 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. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Discard contaminated shoes. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
Flammables-area.

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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 13250-12-9: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: colorless
Odor: amine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 57 - 60 deg C @ 760.00mm Hg
Freezing/Melting Point: -104 deg C
Autoignition Temperature: Not available.
Flash Point: -19 deg C ( -2.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: in water: > 10 mg/l
Specific Gravity/Density: .7240g/cm3
Molecular Formula: C4H11N
Molecular Weight: 73.13

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Acids, acid chlorides, acid anhydrides, carbon dioxide, strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 13250-12-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(R)-(-)-2-Aminobutane - 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, FLAMMABLE, CORROSIVE, N.O.S.*
Hazard Class: 3 (8)
UN Number: 2733
Packing Group: II
IMO
Shipping Name: AMINES, FLAMMABLE, CORROSIVE, N.O.S.
Hazard Class: 3.1
UN Number: 2733
Packing Group: II
RID/ADR
Shipping Name: AMINES, FLAMMABLE, CORROSIVE, N.O.S.
Hazard Class: 3
UN Number: 2733
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F C N
Risk Phrases:
R 11 Highly flammable.
R 20/22 Harmful by inhalation and if swallowed.
R 35 Causes severe burns.
R 50 Very toxic to aquatic organisms.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 33 Take precautionary measures against static
discharges.
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# 13250-12-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13250-12-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13250-12-9 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: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:24.07

2、   摩尔体积(m3/mol):98.6

3、   等张比容(90.2K):217.7

4、   表面张力(dyne/cm):23.7

5、   极化率10-24cm3):9.54

计算化学数据


1、   疏水参数计算参考值(XlogP):0.6

2、   氢键供体数量:1

3、   氢键受体数量:1

4、   可旋转化学键数量:1

5、   拓扑分子极性表面积(TPSA):26

6、   重原子数量:5

7、   表面电荷:0

8、   复杂度:19.6

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:1

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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