12079-65-1 (三羰基(η-环戊二烯基)合锰,tricarbonyl(η-cyclopentadienyl)manganese)

CAS号:
12079-65-1
中文名称:
三羰基(η-环戊二烯基)合锰
英文名称:
tricarbonyl(η-cyclopentadienyl)manganese
安全信息:
分子式:
C8H5MnO3
分子量:
204.061551809311

三羰基(η-环戊二烯基)合锰(12079-65-1)名称与标识符

名称

中文别名:
三羰基(η-环戊二烯基)合锰;环戊二烯三羰基锰;三羰基环戊二烯锰;三羰基环戊二烯锰(I);马来酸乙巯拉嗪;三羰基环戊二烯合锰;环戊二烯三羰基锰(CMT);三羰基环戊二烯基锰;环戊二烯基三羰基锰;三羰基环戊烯基锰;
英文别名:
tricarbonyl(η-cyclopentadienyl)manganese;CMT;Cyclopentadienyltricarbonylmanganese;Tricarbonyl(eta-cyclopentadienyl) manganese;Cyclopentadienyl Manganese Tricarbonyl;carbon monoxide,cyclopenta-1,3-diene,manganese;Cymantrene;Manganese cyclopentadienyltricarbonyl;CYCLOPENTADIENYLMANGANESE TRICARBONYL;tricarbonyl(eta-cyclopentadienyl)manganese;Cyclopentadienyl marganese tricarbonyl;Cyclopentadienylmanganesetricarbonyl,98%;Manganese, tricarbonyl(.eta.5-2,4-cyclopentadien-1-yl)-;cyclopentadienylmanganese(i) tricarbonyl;(eta5-Cyclopentadienyl) manganese tricarbonyl;

标识符

MDL:
MFCD00001440
InChIKey:
CZPHEHHRMHXAIK-UHFFFAOYSA-N
Inchi:
1S/C5H5.3CO.Mn/c1-2-4-5-3-1;3*1-2;/h1-5H;;;;
SMILES:
[CH]1[CH][CH][CH][CH]1.[O+]#[C-].[O+]#[C-].[O+]#[C-].[Mn] |^1:0,1,2,3,4|

三羰基(η-环戊二烯基)合锰(12079-65-1)物化性质

实验特性

  • LogP : 0.39750
  • PSA : 0.00000
  • 水溶性 : Soluble in water (70 ppm (25C)
  • 沸点 : 41.5 ºCat 760 mmHg
  • 熔点 : 72-76 °C (lit.)
  • 闪点 : °C
  • 颜色与性状 : 未确定。
  • 溶解性 : 未确定
  • 敏感性 : Air Sensitive

计算特性

  • 精确分子量 : 203.96200
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 0
  • 同位素质量 : 203.961919
  • 重原子数量 : 12
  • 复杂度 : 21.6
  • 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 : 5
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : -1
  • 拓扑分子极性表面积 : 3

三羰基(η-环戊二烯基)合锰(12079-65-1)安全信息

三羰基(η-环戊二烯基)合锰(12079-65-1)国际标准相关数据

EINECS:
235-142-4

三羰基(η-环戊二烯基)合锰(12079-65-1)海关数据

海关编码:
29310099

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三羰基(η-环戊二烯基)合锰(12079-65-1)参考资料

Reaxys RN:
Beilstein:
235-142-4
PubChem CID:

三羰基(η-环戊二烯基)合锰(12079-65-1) MSDS

基础信息

Name:Cyclopentadienylmanganese Tricarbonyl Material Safety Data Sheet
Synonym:Cymantren
CAS:12079-65-1
Section 1 - Chemical Product ? MSDS Name:Cyclopentadienylmanganese Tricarbonyl Material Safety Data Sheet
Synonym:Cymantren

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
12079-65-1Cyclopentadienylmanganese Tricarbonylca 100235-142-4
Hazard Symbols: T+
Risk Phrases: 26/27/28

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Very toxic by inhalation, in contact with skin and if swallowed.Air sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May be fatal if swallowed. May cause irritation of the digestive tract. May cause central nervous system depression.
Inhalation:
May cause respiratory tract irritation. May cause lung damage.
Chronic:
May cause lung damage.

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. Wash mouth out with 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.
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. Place under an inert atmosphere.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Do not breathe dust, vapor, mist, or gas. Keep container tightly closed. Avoid ingestion and inhalation. Handle under an inert atmosphere. Store protected from air. Use only in a chemical fume hood.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store under an inert atmosphere.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 12079-65-1: United States OSHA: 5 mg/m3 Ceiling (as Mn) (listed under Mangan compounds, n.o.s.).
Belgium - TWA: 0.1 mg/m3 VLE (as Mn) France - VME: 0.1 mg/m3 VME (as Mn) Germany: 0.1 mg/m3 TWA Germany: Skin absorber Japan: (listed as manganese compounds, n.o.s.): 0.3 mg/m3 OEL (ex organic compounds, as Mn) Malaysia: 0.1 mg/m3 TWA (as Mn) Netherlands: 0.3 mg/m3 STEL (as Mn) Netherlands: 0.1 mg/m3 MAC (as Mn) Russia: 0.1 mg/m3 TWA (as Mn) Spain: 0.1 mg/m3 VLA-ED (as Mn) 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Crystals
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 72 - 76 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density:
Molecular Formula: C8H5MnO3
Molecular Weight: 203.9712

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at normal temperatures in tightly closed containers under an inert atmosphere.
Conditions to Avoid:
Incompatible materials, dust generation, exposure to air, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 12079-65-1: OO9720000 LD50/LC50:
CAS# 12079-65-1: Oral, mouse: LD50 = 150 mg/kg; Oral, rat: LD50 = 22 mg/kg.
Carcinogenicity:
Cyclopentadienylmanganese Tricarbonyl - 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: METAL CARBONYLS, N.O.S.*
Hazard Class: 6.1
UN Number: 3281
Packing Group: II
IMO
Shipping Name: METAL CARBONYLS, N.O.S.
Hazard Class: 6.1
UN Number: 3281
Packing Group: II
RID/ADR
Shipping Name: METAL CARBONYLS, N.O.S.
Hazard Class: 6.1
UN Number: 3281
Packing group: II

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+
Risk Phrases:
R 26/27/28 Very toxic by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 12079-65-1: No information available.
Canada
CAS# 12079-65-1 is listed on Canada's NDSL List.
CAS# 12079-65-1 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 12079-65-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A