3085-76-5 (二异丙基氨腈,Diisopropylcyanamide)

CAS号:
3085-76-5
中文名称:
二异丙基氨腈
英文名称:
Diisopropylcyanamide
安全信息:
分子式:
C7H14N2
分子量:
126.199461460114

二异丙基氨腈(3085-76-5)名称与标识符

名称

中文别名:
二异丙基氨腈;二异丙基氰胺;
英文别名:
Cyanamide,N,N-bis(1-methylethyl)-;Diisopropylcyanamide;di(propan-2-yl)cyanamide;aminobis(methylethyl)carbonitrile;Cyanamide,bis(1-methylethyl);Cyanamide,diisopropyl;cyanodiisopropylamine;di-i-propylcyanamide;Diisopropyl-carbamonitril;diisopropyl-carbamonitrile;Diisopropylcyanimide;dipropan-2-ylcyanamide;N,N-diisopropylcyanamide;NSC 7775;T70749;NSC7775;EN300-84924;N,N-Bis(1-methylethyl)cyanamide;FT-0748292;TW5D978CY5;NSC-7775;NS00028981;SCHEMBL445338;InChI=1/C7H14N2/c1-6(2)9(5-8)7(3)4/h6-7H,1-4H;UNII-TW5D978CY5;Cyanamide, N,N-bis(1-methylethyl)-;cyanobis(propan-2-yl)amine;Cyanamide, bis(1-methylethyl)-;EINECS 221-401-9;3085-76-5;AKOS006227752;Cyanamide, diisopropyl-;CS-0217788;DTXSID70184866;MFCD00008865;D4952;DB-254482;

标识符

MDL:
MFCD00008865
InChIKey:
DGCUISYKMONQDH-UHFFFAOYSA-N
Inchi:
1S/C7H14N2/c1-6(2)9(5-8)7(3)4/h6-7H,1-4H3
SMILES:
N(C#N)(C(C)C)C(C)C

二异丙基氨腈(3085-76-5)物化性质

实验特性

  • LogP : 1.58628
  • PSA : 27.03000
  • 折射率 : 1.4279 (20 ºC)
  • 沸点 : 94°C/25mmHg(lit.)
  • 熔点 : -27°C(lit.)
  • 闪点 : 78.9±0.0 ºC,
  • 溶解度 : 微溶 (2.4 g/L) (25 ºC),
  • 颜色与性状 : 无色透明或黄色液体
  • 溶解性 : 未确定
  • 密度 : 0.867±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 126.11600
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 126.115698455g/mol
  • 重原子数量 : 9
  • 复杂度 : 110
  • 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) : 2.1
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 27Ų

二异丙基氨腈(3085-76-5)国际标准相关数据

EINECS:
221-401-9

二异丙基氨腈(3085-76-5)相关文献

二异丙基氨腈(3085-76-5)参考资料

Reaxys RN:
1745393
Beilstein:
D154650
PubChem CID:

二异丙基氨腈(3085-76-5) MSDS

基础信息

Name:Diisopropylcyanamide 97+% Material Safety Data Sheet
Synonym:None known
CAS:3085-76-5
Section 1 - Chemical Product ? MSDS Name:Diisopropylcyanamide 97+% Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
3085-76-5Diisopropylcyanamide97+221-401-9
Hazard Symbols: XN
Risk Phrases: 20/21

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation and in contact with skin.
Potential Health Effects
Eye:
May cause eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
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. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. 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. Combustible liquid. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Containers may explode when heated.
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. 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.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and 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.
Avoid ingestion and inhalation. 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. 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# 3085-76-5: 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: off-white
Odor: amine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 93 - 94 deg C @ 25.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 78 deg C ( 172.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8390g/cm3
Molecular Formula: C7H14N2
Molecular Weight: 126.20

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, ignition sources, excess heat.
Incompatibilities with Other Materials:
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# 3085-76-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Diisopropylcyanamide - 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 Harmful by inhalation and in contact with
skin.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 3085-76-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3085-76-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3085-76-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A