94-01-9 (1,3-联苯甲酰氧基苯,1,3-Dibenzoyloxybenzene)

1,3-联苯甲酰氧基苯(94-01-9)名称与标识符

名称

中文别名:
1,3-联苯甲酰氧基苯;间苯二酚二苯甲酸酯;1,3-苯二醇二苯甲酸酯;1,3-二苯甲酰氧基苯;1,3-亚苯基二苯甲酸酯;
英文别名:
1,3-Phenylene dibenzoate;1,3-Benzenediol,dibenzoate (9CI);Resorcinol, dibenzoate (6CI,7CI,8CI);1,3-Bis(benzoyloxy)benzene;1,3-Dibenzoyloxybenzene;NSC 33405;NSC 4906;(3-benzoyloxyphenyl) benzoate;Resorcinol Dibenzoate;m-Phenylene dibenzoate;1,3-Benzenediol, dibenzoate;Resorcinol, dibenzoate;1,3-Benzenediol, 1,3-dibenzoate;3-(Benzoyloxy)phenyl benzoate;1,3-Phenylenedibenzoate;TO6NXP18UZ;3-phenylcarbonyloxyphenyl benzoate;dibenzoyl resorcinol;Oprea1_857675;Oprea1_087187;1,3-Benzenediol, dibenzoate (9CI);Resorcinol, dibenzoate (6CI, 7CI, 8CI);SCHEMBL1785471;NSC4906;NSC-4906;AKOS003646463;SR-01000393853-1;CS-0128942;NSC33405;EINECS 202-294-8;94-01-9;NSC-33405;BRN 2059467;AI3-00846;SR-01000393853;D90376;NS00041265;3-(Benzoyloxy)phenyl benzoate #;MFCD00016576;AH-357/02159001;DTXSID30883282;UNII-TO6NXP18UZ;D5207;1 pound not3-Dibenzoyloxybenzene;

标识符

MDL:
MFCD00016576
InChIKey:
SUQGLJRNDJRARS-UHFFFAOYSA-N
Inchi:
1S/C20H14O4/c21-19(15-8-3-1-4-9-15)23-17-12-7-13-18(14-17)24-20(22)16-10-5-2-6-11-16/h1-14H
SMILES:
O=C(C1C=CC=CC=1)OC1C=C(OC(C2C=CC=CC=2)=O)C=CC=1
BRN:
2059467

1,3-联苯甲酰氧基苯(94-01-9)物化性质

实验特性

  • LogP : 4.12500
  • PSA : 52.60000
  • 折射率 : 1.5400 (estimate)
  • 沸点 : 450 °C
  • 熔点 : 116.0 to 120.0 deg-C
  • 蒸气压 : 0.0±1.2 mmHg at 25°C
  • 闪点 : 93°C
  • 颜色与性状 : 片状结晶。
  • 溶解性 : 溶于无水乙醇和乙醚。
  • 密度 : 1.2086 (rough estimate)

计算特性

  • 精确分子量 : 318.08900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 6
  • 同位素质量 : 318.089
  • 重原子数量 : 24
  • 复杂度 : 383
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 5
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 52.6

1,3-联苯甲酰氧基苯(94-01-9)国际标准相关数据

EINECS:
33405

1,3-联苯甲酰氧基苯(94-01-9)海关数据

海关编码:
2916399090
海关数据:

中国海关编码:

2916399090

概述:

2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装

Summary:

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

1,3-联苯甲酰氧基苯(94-01-9)生产方法和用途

用途:
制造染料。有机合成。

1,3-联苯甲酰氧基苯(94-01-9)推荐厂家 更多厂家(24)

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湖北方德新材料有限公司 18086096695邱经理 1462312301
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武汉鑫伟烨化工有限公司 18502781673
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湖北成海化工有限公司 13986212397
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孙瑶 1248580055
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湖北万得化工有限公司 15827180502
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铼博(上海)生化科技有限公司 13311756052
021-60536361 13311756052 13311756131
张经理 2851717387
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1,3-联苯甲酰氧基苯(94-01-9)合成路线

合成路线:1 步
反应条件:
参考文献:
Zirconyl triflate: a new, highly efficient and reusable catalyst for acetylation and benzoylation of alcohols, phenols, amines and thiols with acetic and benzoic anhydrides
Moghadam, M.; Tangestaninejad, S.; Mirkhani, V.; Mohammadpoor-Baltork, I.; Babaghanbari, M.; et al, Journal of the Iranian Chemical Society, 2009, 6(3), 523-532
合成路线:1 步
反应条件:
参考文献:
Method for acylation using zirconium(IV) compound as catalysts
, India, , ,
合成路线:1 步
反应条件:
参考文献:
Bismuth(III) salts as convenient and efficient catalysts for the selective acetylation and benzoylation of alcohols and phenols
Mohammadpoor-Baltork, I.; Aliyan, H.; Reza Khosropour, A., Tetrahedron, 2001, 57(27), 5851-5854
合成路线:1 步
反应条件:
参考文献:
A process for the acylation of various substrates using a solid support catalyst
, India, , ,
合成路线:1 步
反应条件:
参考文献:
Synthesis and crystal structure of 1,3-dibenzoyloxybenzene
Naveen, S.; Devaiah, Venu T.; Khanum, Shaukathara; Shashikanth, S.; Anandalwar, Sridhar M.; et al, X-Ray Structure Analysis Online, 2005, 21(11),
合成路线:1 步
反应条件:
参考文献:
3,6-Dibenzoxyl-1,2-pyridazine: A new versatile benzoyl transferring agent for NH2, -OH and -SH benzoylations
Mashraqui, Sabir Hussain; Shivaji, Jadhav Latika, Indian Journal of Chemistry, 2004, (5), 927-935
合成路线:1 步
反应条件:
参考文献:
Solid-Phase Benzoylation of Phenols and Alcohols in Microwave Reactor: An Ecofriendly Protocol
Chakraborty, Suchandra; Saha, Ahana; Basu, Kaushik; Saha, Chandan, Synthetic Communications, 2015, 45(20), 2331-2343
合成路线:1 步
反应条件:
参考文献:
Electrostatic catalysis by ionic aggregates: scope and limitations of Mg(ClO4)2 as acylation catalyst
Chakraborti, Asit K.; Sharma, Lalima; Gulhane, Rajesh; Shivani, Tetrahedron, 2003, 59(39), 7661-7668
合成路线:1 步
反应条件:
参考文献:
Zinc perchlorate hexahydrate [Zn(ClO4)2•6H2O] as acylation catalyst for poor nucleophilic phenols, alcohols and amines: Scope and limitations
Shivani; Gulhane, Rajesh; Chakraborti, Asit K., Journal of Molecular Catalysis A: Chemical, 2007, 264(1-2), 208-213
合成路线:1 步
反应条件:
参考文献:
Preparation of resorcinol ester derivatives as tyrosinase inhibitors
, China, , ,
合成路线:1 步
反应条件:
参考文献:
PhCOCl-Py/basic alumina as a versatile reagent for benzoylation in solvent-free conditions
Paul, Satya; Nanda, Puja; Gupta, Rajive, Molecules, 2003, 8(4), 374-380
合成路线:1 步
反应条件:
参考文献:
Active ester compound having low elastic modulus under high temperature conditions and curable composition using same
, World Intellectual Property Organization, , ,
合成路线:1 步
参考文献:
Preparation of phloroglucinol
, China, , ,
合成路线:1 步
参考文献:
Synthesis, characterization and anti-microbial activity of some novel ester-ether phenol derivatives
Zeglam, Talal H.; Fhid, Omran N. R.; Gebril, Asma; Anwair, Massud A. S.; Mufti, Reham M.; et al, European Journal of Biomedical and Pharmaceutical Sciences, 2015, 2(3), 91-96
合成路线:1 步
参考文献:
Process for the preparation of polyhydroxybenzophenones
, World Intellectual Property Organization, , ,
合成路线:1 步
参考文献:
Preparation of aryl esters and an aromatic polyester by catalytic O-dealkylation and O-acylation of alkyl aryl ethers
, European Patent Organization, , ,
合成路线:1 步
参考文献:
Synthesis of hydroxyaryl ketones as UV absorbers. IV
Bhavsar, Madhury D.; Desai, Vijaykant B., Man-Made Textiles in India, 1988, 31(12), 529-35
合成路线:1 步
参考文献:
Phenyl esters
, Japan, , ,
合成路线:1 步
参考文献:
Acylation of aromatic amines and oxy compounds by carboxylic acids in the presence of halocyclophosphazenes
Stepanov, B. I.; Migachev, G. I., Izvestiya Vysshikh Uchebnykh Zavedenii, 1969, 12(8), 1065-8
合成路线:1 步
参考文献:
Resorcinol esters of α,α-dimethyl aliphatic acids
, United States, , ,

1,3-联苯甲酰氧基苯(94-01-9)相关文献

1,3-联苯甲酰氧基苯(94-01-9)参考资料

Reaxys RN:
2059467
PubChem CID:

1,3-联苯甲酰氧基苯(94-01-9) MSDS

基础信息

Name:M-Phenylene Dibenzoate Material Safety Data Sheet
Synonym:Dibenzoate Resourcino
CAS:94-01-9
Section 1 - Chemical Product ? MSDS Name:M-Phenylene Dibenzoate Material Safety Data Sheet
Synonym:Dibenzoate Resourcino

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
94-01-91,3-Benzenediol, Dibenzoateca 100202-294-8
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. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
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.
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.
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:
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.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 94-01-9: 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: Solid
Color: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 157 deg C
Freezing/Melting Point: 114.00 - 118.00 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:
Specific Gravity/Density:
Molecular Formula: C20H14O4
Molecular Weight: 318.32

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
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# 94-01-9: VH0590000 LD50/LC50:
Not available.
Carcinogenicity:
1,3-Benzenediol, Dibenzoate - 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
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# 94-01-9: No information available.
Canada
CAS# 94-01-9 is listed on Canada's NDSL List.
CAS# 94-01-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 94-01-9 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A