16849-88-0 (4-孕烷-17α,20β-二醇-3-酮,(Dimethylamino)methylenemalononitrile)

CAS号:
16849-88-0
中文名称:
4-孕烷-17α,20β-二醇-3-酮
英文名称:
(Dimethylamino)methylenemalononitrile
分子式:
C6H7N3
分子量:
121.139880418777

4-孕烷-17α,20β-二醇-3-酮(16849-88-0)名称与标识符

名称

中文别名:
二甲胺亚甲基丙二腈;(二甲基氨亚甲基)丙二腈;4-孕烷-17α,20β-二醇-3-酮;2-[(二甲基氨基)亚甲基]丙二腈;
英文别名:
(DIMETHYLAMINOMETHYLENE)MALONONITRILE;(Dimethylaminomethylene)malononitrile10GR;(Dimethylaminomethylene)malononitrile1GR;[(Dimethylamino)methylene]malononitrile;2-((Dimethylamino)methylene)malononitrile;2-(dimethylaminomethylidene)propanedinitrile;2-[(dimethylamino)methylene]Propanedinitrile;Propanedinitrile,2-[(dimethylamino)methylene]-;((Dimethylamino)methylene)malonitrile;<(Dimethylamino)methylen>malononitril;2-(Dimethylaminomethylen)malonodinitril;2-(dimethylaminomethylene)malononitrile;2-cyano-3-(dimethylamino)propenenitrile;EINECS 240-873-7;Propanedinitrile,[(dimethylamino)methylene];NSC 168421;3-DIMETHYLAMINO-2-CYANOACRYLONITRILE;1-(dimethylamine)-2,2-dicyanoethylene;2-DiMethylaMinoMethylene-Malononitrile;2-CYANO-3-(DIMETHYLAMINO)ACRYLONITRILE;((dimethylamino)methylene)-malononitril;[(DIMETHYLAMINO)METHYLENE]PROPANEDINITRILE;2-[(DIMETHYLAMINO)METHYLIDENE]MALONONITRILE;MALONONITRILE, ((DIMETHYLAMINO)METHYLENE)-;((Dimethylamino)methylene)malononitrile;(dimethylamino)methylene propanedinitrile;9VE2L03HB0;SCHEMBL148424;Propanedinitrile, [(dimethylamino)methylene]-;CS-W000024;NSC168421;2-(dimethylaminomethylene)propanedinitrile;.alpha.-Cyano-.beta.-dimethylaminoacrylonitrile;Propanedinitrile, ((dimethylamino)methylene)-;2-[(Dimethylamino)methylene]malononitrile #;2-[(dimethylamino)methylidene]propanedinitrile;A810977;NSC-168421;UNII-9VE2L03HB0;FT-0610839;Propanedinitrile, 2-[(dimethylamino)methylene]-;alpha-Cyano-beta-dimethylaminoacrylonitrile;NS00025530;2-((DIMETHYLAMINO)METHYLENE)PROPANEDINITRILE;DTXSID40168572;((Dimethylamino)methylene)propanedinitrile;PROPANEDINITRILE, 2-((DIMETHYLAMINO)METHYLENE)-;BRN 2038990;2-[(Dimethylamino)methylene]malononitrile;MFCD00001853;InChI=1/C6H7N3/c1-9(2)5-6(3-7)4-8/h5H,1-2H;16849-88-0;Dimethylaminomethylenemalononitrile;DB-043742;

标识符

MDL:
MFCD00001853
InChIKey:
LBUDLOYYNHQKQI-UHFFFAOYSA-N
Inchi:
1S/C6H7N3/c1-9(2)5-6(3-7)4-8/h5H,1-2H3
SMILES:
N(/C=C(\C#N)/C#N)(C)C

4-孕烷-17α,20β-二醇-3-酮(16849-88-0)物化性质

实验特性

  • LogP : 0.47906
  • PSA : 50.82000
  • 折射率 : 1.4690 (estimate)
  • 沸点 : 215.85°C (rough estimate)
  • 熔点 : 88-90 ºC (ligroine )
  • 溶解度 : 易溶 (120 g/L) (25 ºC),
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.053±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 121.06400
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 121.063997236g/mol
  • 重原子数量 : 9
  • 复杂度 : 189
  • 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) : 0.3
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 50.8Ų

4-孕烷-17α,20β-二醇-3-酮(16849-88-0)安全信息

4-孕烷-17α,20β-二醇-3-酮(16849-88-0)国际标准相关数据

EINECS:
240-873-7

4-孕烷-17α,20β-二醇-3-酮(16849-88-0)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%

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4-孕烷-17α,20β-二醇-3-酮(16849-88-0) MSDS

基础信息

Name:(Dimethylaminomethylene)Malononitrile Material Safety Data Sheet
Synonym:Alpha-Cyano-Beta-Dimethylaminoacrylonitrile; ((Dimethylamino)methylene)malonitrile
CAS:16849-88-0
Section 1 - Chemical Product ? MSDS Name:(Dimethylaminomethylene)Malononitrile Material Safety Data Sheet
Synonym:Alpha-Cyano-Beta-Dimethylaminoacrylonitrile; ((Dimethylamino)methylene)malonitrile

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
16849-88-0(Dimethylaminomethylene)Malononitrileca 100240-873-7
Hazard Symbols: XN
Risk Phrases: 20/21

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation and in contact with skin.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.
Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration.
Chronic:
May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration.

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. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. 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:
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# 16849-88-0: 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 84.00 - 85.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H7N3
Molecular Weight: 121.14

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, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong acids, strong bases, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 16849-88-0: OO3746000 LD50/LC50:
Not available.
Carcinogenicity:
(Dimethylaminomethylene)Malononitrile - 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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
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# 16849-88-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16849-88-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16849-88-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A