706-03-6 (3-(苯甲基氨基)丙腈,β-(Benzylamino)propionitrile)

CAS号:
706-03-6
中文名称:
3-(苯甲基氨基)丙腈
英文名称:
β-(Benzylamino)propionitrile
安全信息:
分子式:
C10H12N2
分子量:
160.215682029724

3-(苯甲基氨基)丙腈(706-03-6)名称与标识符

名称

中文别名:
3-(苯甲基氨基)丙腈;3-(苄氨基)丙腈;3-苄氨基丙腈;
英文别名:
3-(Benzylamino)propionitrile;3-(Benzylamino)propanenitrile;β-(Benzylamino)propionitrile;MFCD00001955;3-benzylamino-propionitrile;InChI=1/C10H12N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,8-9H2;3-(N-benzylamino)propionitrile;SY100989;EN300-49127;beta-cyanoethylbenzylamine;N-Benzyl-2-cyanoethylamine;NCIOpen2_000834;SCHEMBL421501;DTXSID20220889;AKOS004910576;CHEMBL4562701;Propionitrile, 3-(benzylamino)-;STR04770;Propanenitrile, 3-((phenylmethyl)amino)-;3-(phenylmethylamino)propanenitrile;NS00037069;3-(benzylamino)-propionitrile;3-(benzylamino) propionitrile;Propanenitrile, 3-[(phenylmethyl)amino]-;706-03-6;EINECS 211-890-7;3-(Benzylamino)propanenitrile #;SB75951;3-(Benzylamino)propionitrile, 97%;beta-(Benzylamino)propionitrile;N-(2-Cyanoethyl)benzylamine;AI3-20448;MWTGBAURSCEGSL-UHFFFAOYSA-;.beta.-(Benzylamino)propionitrile;BBL023619;STK864417;b-(Benzylamino)propionitrile;

标识符

MDL:
MFCD00001955
InChIKey:
MWTGBAURSCEGSL-UHFFFAOYSA-N
Inchi:
1S/C10H12N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,8-9H2
SMILES:
N(CCC#N)CC1C=CC=CC=1

3-(苯甲基氨基)丙腈(706-03-6)物化性质

实验特性

  • LogP : 2.08078
  • PSA : 35.82000
  • 折射率 : n20/D 1.5308(lit.)
  • 沸点 : 276.13°C (rough estimate)
  • 闪点 : 华氏:235.4 °F
    摄氏:113 °C
  • 溶解度 : Soluble in DMSO.
  • 颜色与性状 : 无色澄清液体。
  • 溶解性 : 未确定。
  • 密度 : 1.024 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 160.10000
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 4
  • 同位素质量 : 160.1
  • 重原子数量 : 12
  • 复杂度 : 151
  • 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) : 1
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 35.8A^2

3-(苯甲基氨基)丙腈(706-03-6)安全信息

3-(苯甲基氨基)丙腈(706-03-6)国际标准相关数据

EINECS:
211-890-7

3-(苯甲基氨基)丙腈(706-03-6)海关数据

海关编码:
2926909090
海关数据:

中国海关编码:

2926909090

概述:

2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 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:

HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-(苯甲基氨基)丙腈(706-03-6)上下游

3-(苯甲基氨基)丙腈(706-03-6) MSDS

基础信息

Name:3-(Benzylamino)propionitrile 97% Material Safety Data Sheet
Synonym:
CAS:706-03-6
Section 1 - Chemical Product ? MSDS Name:3-(Benzylamino)propionitrile 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
706-03-63-(Benzylamino)propionitrile97211-890-7
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled. Can produce delayed pulmonary edema.
Chronic:
Prolonged or repeated skin contact may cause dermatitis. Effects may be delayed.

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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
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.
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:
Treat symptomatically and supportively.

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation.
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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 706-03-6: 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:
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: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0240 g/cm3
Molecular Formula: C10H12N2
Molecular Weight: 160.22

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Acid anhydrides, acid chlorides, acids, strong oxidizing agents, carbon dioxide.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 706-03-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(Benzylamino)propionitrile - 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: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
WGK (Water Danger/Protection)
CAS# 706-03-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 706-03-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 706-03-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A