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苯甲酰丙酮铬(III)

中文名称：: 苯甲酰丙酮铬(III)

中文别名：: 苯甲酰丙酮铬(III);
Chromiumtris(benzoylacetonate) Tris(1-phenyl-1,3-butanedionato)chromium

英文名称：: Chromium,tris(1-phenyl-1,3-butanedionato-kO1,kO3)-

英文别名：: CHROMIUM(III) BENZOYLACETONATE;
tris(benzoylacetonato)chromium;
tris(1-phenyl-1,3-butanedionato)-chromiu;
tris(1-phenyl-1,3-butanedionato)chromium;
tris(1-phenyl-1,3-butanedionato)-chromium(3+;
PHENYLBUTANEDIONATOCHROMIUM;
TRIS(1-PHENYL-1,3-BUTANEDIONO)CHROMIUM;
chromiumtris(benzoylacetonate)

CAS No.：: 16432-36-3

分子式：: C₃₀H₂₇CrO₆

分子量：: 535.53

精确分子量：: 535.12100

PSA：: 78.90000

MDL：: MFCD00036117

EINECS：: 240-484-2

危险品标志：

风险术语：

安全术语：

分子结构式：

SDS：: 查看

苯甲酰丙酮铬(III) 物化性质

沸点：: 315.5ºC at 760 mmHg
闪点：: 133.7ºC
蒸汽压：: 0.000184mmHg at 25°C
存储条件/存储方法：: 常温密闭避光，通风干燥
稳定性相关：: 常温常压下稳定
避免的物料：氧化物

苯甲酰丙酮铬(III) 安全信息

危险类别码：: 36/37/38
安全标志：: S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:
危险标志：: Xi

苯甲酰丙酮铬(III) 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GB7580000

CHEMICAL NAME :: Chromium(3+), tris(1-phenyl-1,3-butanedionato)-

CAS REGISTRY NUMBER :: 16432-36-3

LAST UPDATED :: 199712

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C30-H27-Cr-O6

MOLECULAR WEIGHT :: 535.57

WISWESSER LINE NOTATION :: 1V1VR 3 &.CR

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#01651 *** REVIEWS *** ACGIH TLV-TWA 0.5 mg(Cr)/m3 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 ACGIH TLV-Not classifiable as a human carcinogen 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 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 1 mg(Cr)/m3 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: 3,35,1971 OSHA PEL (Gen Indu):8H TWA 0.5 mg(Cr)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 0.5 mg(Cr)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 0.5 mg(Cr)/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 OSHA PEL (Fed Cont):8H TWA 0.5 mg(Cr)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994

毒理学数据：

急性毒性：大鼠静脉LD50:180 mg/kg

生态数据：

通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

苯甲酰丙酮铬(III) MSDS

Name:	Chromium(III) benzoylacetonate Material Safety Data Sheet
Synonym:	Tris(1-phenyl-1,3-butanediono)chromium
CAS:	16432-36-3

Section 1 - Chemical Product MSDS Name:Chromium(III) benzoylacetonate Material Safety Data Sheet
Synonym:Tris(1-phenyl-1,3-butanediono)chromium

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
16432-36-3	Chromium(III) benzoylacetonate	100	240-484-2

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation.
Chronic:
Not available.

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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately. 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.
Notes to Physician:
Treat symptomatically and supportively.

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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Keep container closed when not in use. 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# 16432-36-3: United Kingdom, WEL - TWA: (listed as chromium (vi) compounds): 0 mg/m3 TWA (as Cr) United Kingdom, WEL - STEL: (listed as chromium (vi) compounds): mg/m3 STEL (as Cr) France - VME: (listed as chromium (vi) compounds): 0.05 mg/m3 VME Cr) Germany: (listed as chromium (vi) compounds): 0.05 mg/m3 VME (as Japan: (listed as chromium (vi) compounds): 0.05 mg/m3 OEL (as Cr 0.01 mg/m3 OEL (certain compounds, as Cr) 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: Crystals
Color: olive
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 237C - 238C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density:
Molecular Formula: C30H27CrO6
Molecular Weight: 535.53

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, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 16432-36-3: GB7580000 LD50/LC50:
Not available.
LD50 (Intravenous, mouse) = 180 Carcinogenicity:
Chromium(III) benzoylacetonate - California: carcinogen, initial date 2/27/87 (listed as Chromium (VI) NTP: Known carcinogen (listed as Chromium (VI) compounds).
IARC: Group 1 carcinogen (listed as Chromium (VI) compounds).
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 16432-36-3: No information available.
Canada
CAS# 16432-36-3 is listed on Canada's DSL List.
CAS# 16432-36-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16432-36-3 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

苯甲酰丙酮铬(III) 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）:

2、氢键供体数量：3

3、氢键受体数量：6

4、可旋转化学键数量:6

5、互变异构体数量：

6、拓扑分子极性表面积（TPSA）:112

7、重原子数量：37

8、表面电荷：0

9、复杂度：675

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：3

14、不确定化学键立构中心数量：0

15、共价键单元数量：4