14323-17-2 (三(1-苯基-1,3-丁二酮)铁,Iron,tris(1-phenyl-1,3-butanedionato-kO1,kO3)-)

快速询单

结构式：

三(1-苯基-1,3-丁二酮)铁MOL文件

CAS号：

14323-17-2

中文名称：

三(1-苯基-1,3-丁二酮)铁

英文名称：

Iron,tris(1-phenyl-1,3-butanedionato-kO1,kO3)-

分子式：

C₃₀H₂₇FeO₆

分子量：

539.37679028511

三(1-苯基-1,3-丁二酮)铁(14323-17-2)名称与标识符

名称

中文别名：

苯甲酰丙酮铁(Ⅲ);苯甲酰丙酮铁(III);三(1-苯基-1,3-丁二酮)铁;

英文别名：

Iron,tris(1-phenyl-1,3-butanedionato-kO1,kO3)-;FERRIC BENZOYLACETONATE;FERRIC PHENYLBUTANEDIONATE;Iron,tris(1-phenyl-1,3-butanedionato-O,O');TRIS(1-PHENYL-1,3-BUTANEDIONATO)IRON(III);TRIS(1-PHENYL-1,3-BUTANEDIONO)IRON;TRIS(1-PHENYL-1,3-BUTANEDIONO)IRON III;tris(1-phenylbutane-1,3-dionato-O,O')iron;IRON III BENZOYLACETONATE;tris(1-phenyl-1,3-butanedionato-o,o’)-iro;Iron, tris(1-phenyl-1,3-butanedionato-O,O')-;FERRICBENZOYLACETONATE,CA.11%FE;iron(3+);(Z)-3-oxo-1-phenylbut-1-en-1-olate;Iron, tris(1-phenyl-1,3-butanedionato-kappaO,kappaO')-;DTXSID401015329;14323-17-2;Iron, tris(1-phenyl-1,3-butanedionato-.kappa.O,.kappa.O')-;Iron, tris(1-phenyl-1,3-butanedionato-kappaO1,kappaO3)-;EINECS 238-267-2;AKTNILSPEUKFSK-YNEVXYPXSA-K;

标识符

MDL：

MFCD00041938

InChIKey：

AKTNILSPEUKFSK-YNEVXYPXSA-K

Inchi：

1S/3C10H10O2.Fe/c3*1-8(11)7-10(12)9-5-3-2-4-6-9;/h3*2-7,12H,1H3;/q;;;+3/p-3/b3*10-7-;

SMILES：

[Fe+3].[O-]/C(=C\C(C)=O)/C1C=CC=CC=1.[O-]/C(=C\C(C)=O)/C1C=CC=CC=1.[O-]/C(=C\C(C)=O)/C1C=CC=CC=1

三(1-苯基-1,3-丁二酮)铁(14323-17-2)物化性质

实验特性

LogP : 6.26380
PSA : 88.13000
熔点 : 216 °C
颜色与性状 : 无可用
溶解性 : 无可用

计算特性

精确分子量 : 569.12600
氢键供体数量 : 0
氢键受体数量 : 6
可旋转化学键数量 : 6
同位素质量 : 539.115699g/mol
重原子数量 : 37
复杂度 : 188
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 : 3
不确定化学键立构中心数量 : 0
共价键单元数量 : 4
疏水参数计算参考值（XlogP） : 无可用
表面电荷 : 0
拓扑分子极性表面积 : 120

三(1-苯基-1,3-丁二酮)铁(14323-17-2)安全信息

三(1-苯基-1,3-丁二酮)铁(14323-17-2)推荐厂家更多厂家(5)

公司名称	手机号/电话	联系人	QQ	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
上海依赫生物科技有限公司	17721395025 021-68882955	张经理	2423903095	询单
江苏乾宇分子科技有限公司	18552882512	周经理	2314725130	询单

三(1-苯基-1,3-丁二酮)铁(14323-17-2)相关文献

1. Error or exemption to the rule? Development of a diagnostic check for thermochemistry of metal–organic compounds
Kseniya V. Zherikova,Sergey P. Verevkin RSC Adv. 2020 10 38158

三(1-苯基-1,3-丁二酮)铁(14323-17-2) MSDS

基础信息

Name:	Ferric benzoylacetonate Material Safety Data Sheet
Synonym:	Iron, tris(1-phenyl-1,3-butanedionato-kappaO,kappaO')-; Iron, tris(1-phenyl-1,3-butanedionato-O,O')-; Tris(1-phenylbutane-1,3-dionato-O,O')iro
CAS:	14323-17-2

Section 1 - Chemical Product ? MSDS Name:Ferric benzoylacetonate Material Safety Data Sheet
Synonym:Iron, tris(1-phenyl-1,3-butanedionato-kappaO,kappaO')-; Iron, tris(1-phenyl-1,3-butanedionato-O,O')-; Tris(1-phenylbutane-1,3-dionato-O,O')iro

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
14323-17-2	Iron, tris(1-phenyl-1,3-butanedionato-	ca. 100	238-267-2

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
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 immediately.
Skin:
Get medical aid immediately. 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.
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:

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:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. 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# 14323-17-2: Belgium - TWA: (listed as iron salts (soluble)): 1 mg/m3 VLE (as Malaysia: (listed as iron salts (soluble)): 1 mg/m3 TWA (as Fe) Netherlands: (listed as iron salts (soluble)): 1 mg/m3 MAC (as Fe Spain: (listed as iron salts (soluble)): 1 mg/m3 VLA-ED (as Fe) 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: red-brown
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 216 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C30H27FeO6
Molecular Weight: 539.39

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 14323-17-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Iron, tris(1-phenyl-1,3-butanedionato-o,o')- - 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: Not available.
Risk Phrases:
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# 14323-17-2: No information available.
Canada
CAS# 14323-17-2 is listed on Canada's DSL List.
CAS# 14323-17-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14323-17-2 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A