二甲基乙酰胺-D9

  • 基本信息
  • MSDS
  • 结构与计算化学

二甲基乙酰胺-D9 基本信息

中文名称:
二甲基乙酰胺-D9 
中文别名:
二甲基乙酰胺-D9;
氘代N,N-二甲基乙酰胺-d 
英文名称:
Acetamide-2,2,2-d3,N,N-di(methyl-d3)-
英文别名:
2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide;
nonadeuterio-dimethylacetamide;
deutero N,N-dimethylacetamide;
Perdeutero-N,N-dimethyl-acetamid;
nonadeutero-N,N-dimethylacetamide;
2,2,2-trideuterio-N,N-bis-trideuteriomethyl-acetamide;
DE790 
CAS No.:
16727-10-9
分 子 式:
C4D9NO
分 子 量:
96.18
精确分子量:
87.06840
PSA:
20.31000
InChI:
The Key: FXHOOIRPVKKKFG-GQALSZNTSA-N
分子结构式:
SDS:
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二甲基乙酰胺-D9 MSDS

Name: N N-Dimethylacetamide-d9 99+ atom% d Material Safety Data Sheet
Synonym:
CAS: 16727-10-9
Section 1 - Chemical Product   MSDS Name:N N-Dimethylacetamide-d9 99+ atom% d Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
16727-10-9 N,N-Dimethylacetamide-d9, 99+ atom% d unlisted
Hazard Symbols: T
Risk Phrases: 20/21 61

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation and in contact with skin. May cause harm to the unborn child.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

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.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
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.
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:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant 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. Sweep up, then place into a suitable container for disposal.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 16727-10-9: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 165 deg C @ 760.00mmHg
Freezing/Melting Point: 0 deg C
Autoignition Temperature: Not available.
Flash Point: 70 deg C ( 158.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble
Specific Gravity/Density: 1.0400g/cm3
Molecular Formula:
Molecular Weight:

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Strong oxidants.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen bromide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 16727-10-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N,N-Dimethylacetamide-d9, 99+ atom% d - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 61 May cause harm to the unborn child.
R 20/21 Harmful by inhalation and in contact with
skin.
Safety Phrases:
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 36 Wear suitable protective clothing.
WGK (Water Danger/Protection)
CAS# 16727-10-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16727-10-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16727-10-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

二甲基乙酰胺-D9 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积:20.3

7.重原子数量:6

8.表面电荷:0

9.复杂度:58.6

10.同位素原子数量:9

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

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

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产品名称:N,N-二甲基乙酰胺-d9 Cas号:16727-10-9 纯度:99% (CP) 包装信息:1gea,5gea 价格:3,558.0元 - 8,658.0元
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产品名称:二甲基乙酰胺-D9 Cas号:16727-10-9 纯度:99% 包装信息:1g 价格:洽谈
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