三羰基(η-环戊二烯基)合锰

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

三羰基(η-环戊二烯基)合锰 基本信息

中文名称:
三羰基(η-环戊二烯基)合锰 
中文别名:
三羰基(η-环戊二烯基)合锰;
三羰基环戊二烯合锰;
环戊二烯三羰基锰(CMT);
三羰基环戊二烯锰 
英文名称:
Manganese, tricarbonyl(h5-2,4-cyclopentadien-1-yl)-
英文别名:
Cyclopentadienylmanganese Tricarbonyl;
carbon monoxide,cyclopenta-1,3-diene,manganese;
Cyclopentadienylmanganese tricarbonyl 
CAS No.:
12079-65-1
分 子 式:
C8H5MnO3
分 子 量:
204.06
精确分子量:
203.96200
PSA:
0.00000
MDL:
MFCD00001440
EINECS:
235-142-4
InChI:
InChI=1/C5H5.3CO.Mn/c1-2-4-5-3-1;3*1-2;/h1-5H;;;;
风险术语:
R28
安全术语:
S28;S45;S36/37
分子结构式:
SDS:
查看

三羰基(η-环戊二烯基)合锰 物化性质

外观与性状:
黄色晶体或结晶大块
熔点:
72-76ºC(lit.)
沸点:
41.5ºCat 760 mmHg
存储条件/存储方法:
库房低温,通风,干燥,防火,与氧化剂,食品原料分开存放
稳定性相关:

常温常压下稳定

避免的物料 氧化物

其它信息:

1.       性状:未确定

2.       密度(g/mL,18):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):74-76

5.       沸点(ºC,常压):未确定

6.       沸点(ºC1mmHg):未确定

7.       折射率: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(20ºC):未确定

12.    饱和蒸气压(kPa,60ºC):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

三羰基(η-环戊二烯基)合锰 安全信息

包装等级:
II
风险类别:
6.1
危险类别码:
R28
安全说明:
28-36/37-45
安全标志:
S28:接触皮肤之后,立即使用大量皂液洗涤。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:

三羰基(η-环戊二烯基)合锰 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO9720000
CHEMICAL NAME :
Manganese, cyclopentadienyltricarbonyl
CAS REGISTRY NUMBER :
12079-65-1
LAST UPDATED :
199712
DATA ITEMS CITED :
25
MOLECULAR FORMULA :
C8-H5-Mn-O3
MOLECULAR WEIGHT :
204.07
WISWESSER LINE NOTATION :
L5J A-MN-VHVHVH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
22 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 34,341,1985
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
120 mg/m3/2H
TOXIC EFFECTS :
Vascular - BP lowering not characterized in autonomic section Blood - hemorrhage Lungs, Thorax, or Respiration - other changes
REFERENCE :
HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 30(4-6),40,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
14 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - chronic pulmonary edema Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 34,341,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Brain and Coverings - changes in circulation (hemorrhage, thrombosis, etc.) Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - convulsions or effect on seizure threshold
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 28(4),29,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
710 ug/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#11285 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
335 mg/kg/9W-I
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes Blood - other changes Related to Chronic Data - death
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 28(4),29,1963
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
425 mg/kg/20D-I
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 28(4),29,1963 *** REVIEWS *** ACGIH TLV-TWA 0.1 mg/m3 (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 TOXICOLOGY REVIEW AMRL** Aerospace Medical Research Laboratory Report. (Aerospace Technical Div., Air Force Systems Command, Wright-Patterson Air Force Base, OH 45433) Volume(issue)/page/year: TR-73-125,1973 TOXICOLOGY REVIEW 85DHAX "Medical and Biologic Effects of Environmental Pollutants Series," Washington, DC, National Academy of Sciences, 1972-77 Volume(issue)/page/year: Mn,126,1973 *** U.S. STANDARDS AND REGULATIONS *** OSHA PEL (Shipyard):CL 5 mg/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.1 mg/m3;Skin JAN 1993 OEL-BELGIUM:TWA 0.1 mg/m3;Skin JAN 1993 OEL-DENMARK:TWA 0.1 mg/m3;Skin JAN 1993 OEL-FINLAND:TWA 0.1 mg/m3;STEL 0.3 mg/m3;Skin JAN 1993 OEL-FRANCE:TWA 0.1 mg/m3;Skin JAN 1993 OEL-THE NETHERLANDS:TWA 0.1 mg/m3;STEL 0.3 mg/m3;Skin JAN 1993 OEL-RUSSIA:STEL 0.1 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 0.1 mg/m3;Skin JAN 1993 OEL-UNITED KINGDOM:TWA 0.1 mg/m3;STEL 0.3 mg/m3;Skin JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO THE CHEMICAL (as Mn)-air:10H TWA 0.1 mg/m3 (Sk) REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0804 No. of Facilities: 11 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 34 (estimated)
毒理学数据:

1.        急性毒性:大鼠口服LD5022mg/kg;大鼠吸入LCLo120 mg/m3/2H;大鼠腹腔LD5014mg/kg;小鼠口服LD50150mg/kg;小鼠静脉注射LD50710ug/kg

2.        其他多剂量毒性数据:大鼠口服TDLo335 mg/kg/9W-I;小鼠口服TDLo425 mg/kg/20D-I

生态数据:

对水是危害的即使小量的产品渗入地下水也会对饮水造成危害,若无政府许可,勿将材料排入周围环境。

三羰基(η-环戊二烯基)合锰 MSDS

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 Name content EINECS#
12079-65-1 Cyclopentadienylmanganese Tricarbonyl ca 100 235-142-4
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

三羰基(η-环戊二烯基)合锰 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:203.961918 Da

8、标称质量:204 Da

9、平均质量:204.0615 Da

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:4

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3

7.重原子数量:12

8.表面电荷:-1

9.复杂度:21.6

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: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:5

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