5447-66-5

5447-66-5结构式
5447-66-5结构式

化源商城直购

中文名 2,4-二氰基-3-甲基戊二酰胺
英文名 2,4-dicyano-3-methylglutaramide
英文别名 2,4-dicyano-3-methylpentanediamide
EINECS 226-665-9
MFCD00008014
密度 1.293g/cm3
沸点 574ºC at 760mmHg
熔点 159-160ºC(lit.)
分子式 C8H10N4O2
分子量 194.19100
闪点 300.9ºC
精确质量 194.08000
PSA 133.76000
LogP 0.27326
折射率 1.524
计算化学

1.疏水参数计算参考值(XlogP):-1.3

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:4

5.互变异构体数量:6

6.拓扑分子极性表面积134

7.重原子数量:14

8.表面电荷:0

9.复杂度:311

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:2

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

更多

1. 性状:白色结晶性粉末

2. 密度(g/mL,25℃):未确定

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):159-160

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,15mmHg):未确定

7. 折射率(n20/D):未确定

8. 闪点(ºC):未确定

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(mmHg,20ºC):未确定

12. 饱和蒸气压(kPa,25ºC):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

Name: 2 4-Dicyano-3-Methylglutaramide 99% Material Safety Data Sheet
Synonym: Alpha, Gamma-Dicyano-Beta-Methyl Glutaramide
CAS: 5447-66-5
Section 1 - Chemical Product MSDS Name:2 4-Dicyano-3-Methylglutaramide 99% Material Safety Data Sheet
Synonym:Alpha, Gamma-Dicyano-Beta-Methyl Glutaramide

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
5447-66-5 2,4-Dicyano-3-Methylglutaramide 99 226-665-9
Hazard Symbols: T
Risk Phrases: 23/24 33

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic by inhalation and in contact with skin. Danger of cumulative effects.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.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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:
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# 5447-66-5: 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 159.00 - 160.00 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: C8H10N4O2
Molecular Weight: 194.19

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, strong reducing 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# 5447-66-5: MA3000000 LD50/LC50:
Not available.
Carcinogenicity:
2,4-Dicyano-3-Methylglutaramide - 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: II
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: II

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24 Toxic by inhalation and in contact with
skin.
R 33 Danger of cumulative effects.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
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# 5447-66-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5447-66-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5447-66-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

毒理学数据:

1、急性毒性:小鼠经静脉LD50:180mg/kg;

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MA3000000
CHEMICAL NAME :
Glutaramide, 2,4-dicyano-3-methyl-
CAS REGISTRY NUMBER :
5447-66-5
BEILSTEIN REFERENCE NO. :
1712402
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H10-N4-O2
MOLECULAR WEIGHT :
194.22
WISWESSER LINE NOTATION :
ZVYCN&Y1&YVZCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04481

符号 GHS06
GHS06
信号词 Danger
危害声明 H301 + H311 + H331
警示性声明 P261-P280-P301 + P310-P311
个人防护装备 Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
危害码 (欧洲) T
风险声明 (欧洲) R23/24;R33
安全声明 (欧洲) S24/25
危险品运输编码 UN 3439 6.1/PG 2
RTECS号 MA3000000
包装等级 III
危险类别 6.1(b)
海关编码 2926909090

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5447-66-5结构式

5447-66-5

文献:Day; Thorpe Journal of the Chemical Society, 1920 , vol. 117, p. 1472
上游产品  2

下游产品  1

将冷至10℃的氰乙酰胺水溶液与乙醛、哌啶混合,在室温放置2h,冷却搅拌,约1h后2,4-二氰基-3-甲基戊二酰胺析晶完全。过滤,用冷水洗涤,干燥,得成品,产率约82%。

海关编码 2926909090
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