1503-49-7 (4-氰基苯并苯基酮,4-Benzoylbenzonitrile)

快速询单

结构式：

4-氰基苯并苯基酮MOL文件

CAS号：

1503-49-7

中文名称：

4-氰基苯并苯基酮

英文名称：

4-Benzoylbenzonitrile

安全信息：

分子式：

C₁₄H₉NO

分子量：

207.227363348007

4-氰基苯并苯基酮(1503-49-7)名称与标识符

名称

中文别名：

4-氰基苯并苯基酮;4-氰基苯甲酮;5-(4-氨基-5-氟-2-氧代-1(2H)-嘧啶)-1,3-氧硫杂环戊烷-2-甲酸5-甲基-2-异丙基环己醇酯;4-苯甲酰苯甲腈;4-氰基二苯甲酮;4-氰基苯并苯基酮,98%;

英文别名：

4-benzoylbenzonitrile;4-Cyanobenzophenone;p-Cyanobenzophenone;4-Cyano-benzophenon;Benzonitrile, 4-benzoyl-;benzophenone-4-carbonitrile;4-Cyanobenzophenone,98%;4-benzoyl-benzonitrile;YSZWJJANSNFQMM-UHFFFAOYSA-N;4-Cyano-benzophenone;Benzonitrile,4-benzoyl-;4-Benzoylbenzonitrile #;4-(phenylcarbonyl)benzenecarbonitrile;VZ28901;ZB00;C72859;SY013985;1503-49-7;Benzonitrile, p-benzoyl-;EINECS 216-126-6;CS-0156560;4-Cyanobenzophenone, 97%;(S)-tert-butyl2-(tert-butoxycarbonylamino)-4-mercaptobutanoate;MFCD00016382;p-Cyanophenyl phenyl ketone;p-Benzoylbenzonitrile;(4-Cyanophenyl)phenylmethanone;NS00024915;DTXSID40164514;AKOS015916254;RS-1016;4-cyanophenyl phenyl ketone;InChI=1/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9;VD6QK8C72H;FT-0618299;J-008689;SCHEMBL3215328;DB-043050;

标识符

MDL：

MFCD00016382

InChIKey：

YSZWJJANSNFQMM-UHFFFAOYSA-N

Inchi：

1S/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H

SMILES：

O=C(C1C=CC=CC=1)C1C=CC(C#N)=CC=1

BRN：

641181

4-氰基苯并苯基酮(1503-49-7)物化性质

实验特性

LogP : 2.78928
PSA : 40.86000
折射率 : 1.4700 (estimate)
水溶性 : Insoluble in water.
沸点 : 346.25°C (rough estimate)
熔点 : 110-114 °C (lit.)
闪点 : 181.8°C
颜色与性状 : 浅黄色粉末。
溶解性 : 不溶于水。
密度 : 1.1259 (rough estimate)

计算特性

精确分子量 : 207.06800
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 207.068
重原子数量 : 16
复杂度 : 287
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） : 3.1
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 40.9

4-氰基苯并苯基酮(1503-49-7)安全信息

符号： GHS07
WGK Germany： 3
安全术语： 6.1
安全说明： S26-S36
包装等级： III
包装类别： III
风险术语： R20/21/22
危险等级： 6.1
危险品标志： Xn
危险品运输编号： 3439
危害声明：H302-H312-H315-H319-H332-H335
警示性声明：P261-P280-P305+P351+P338
PackingGroup： III
危险类别码： 20/21/22-36/37/38
信号词： Warning
HazardClass： 6.1

4-氰基苯并苯基酮(1503-49-7)国际标准相关数据

EINECS：

216-126-6

4-氰基苯并苯基酮(1503-49-7)海关数据

海关编码：

2926909090

海关数据：

中国海关编码：

2926909090

概述：

2926909090 其他腈基化合物. 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

Summary：

HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-氰基苯并苯基酮(1503-49-7)推荐厂家更多厂家(36)

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湖北拓邦化工有限公司	15102763473 027-59106185	涂梦婷	1400868822/1248089955	询单
天门恒昌化工有限公司	15102714773 027-59322316	雷经理	1178380033	询单
湖北摆渡化学有限公司	18871490324 027-59106051	彭星	1400878899	询单

4-氰基苯并苯基酮(1503-49-7)相关文献

1. Synthesis of coumarins via PIDA/I2-mediated oxidative cyclization of substituted phenylacrylic acids
Jinming Li,Huiyu Chen,Daisy Zhang-Negrerie,Yunfei Du,Kang Zhao RSC Adv. 2013 3 4311
2. C(acyl)–C(sp2) and C(sp2)–C(sp2) Suzuki–Miyaura cross-coupling reactions using nitrile-functionalized NHC palladium complexes
Sinem ?ak?r,Serdar Bat?kan Kavukcu,Hande Karab?y?k,Senthil Rethinam,Hayati Türkmen RSC Adv. 2021 11 37684
3. Ni-catalyzed reductive decyanation of nitriles with ethanol as the reductant
Ke Wu,Yichen Ling,Nan Sun,Baoxiang Hu,Zhenlu Shen,Liqun Jin,Xinquan Hu Chem. Commun. 2021 57 2273
4. Conformational control of benzophenone-sensitized charge transfer in dinucleotides
Thomas Merz,Matthias Wenninger,Michael Weinberger,Eberhard Riedle,Hans-Achim Wagenknecht,Martin Schütz Phys. Chem. Chem. Phys. 2013 15 18607
5. Regioselective formation of 2-alkoxyoxetanes in the photoreaction of aromatic carbonyl compounds with β,β-dimethyl ketene silyl acetals: notable solvent and silyl group effects
Manabu Abe,Yasuo Shirodai,Masatomo Nojima J. Chem. Soc. Perkin Trans. 1 1998 3253
6. Benzophenones in the higher triplet excited states
Xichen Cai,Masanori Sakamoto,Michihiro Hara,Akira Sugimoto,Sachiko Tojo,Kiyohiko Kawai,Masayuki Endo,Mamoru Fujitsuka,Tetsuro Majima Photochem. Photobiol. Sci. 2003 2 1209
7. Photo-oxidation of di-n-butylsulfide by various electron transfer sensitizers in oxygenated acetonitrile
Virginie Latour,Thierry Pigot,Maryse Simon,Henri Cardy,Sylvie Lacombe Photochem. Photobiol. Sci. 2005 4 221
8. Polarographic reductions of some carbonyl compounds
P. Zuman,D. Barnes,A. Ryvolová-Kejharová Discuss. Faraday Soc. 1968 45 202
9. A phosphine-free, heterogeneous palladium-catalyzed atom-efficient carbonylative cross-coupling of triorganoindiums with aryl halides leading to unsymmetrical ketones
Shengyong You,Ruian Xiao,Haiyi Liu,Mingzhong Cai New J. Chem. 2017 41 13862
10. CCCXIII.—The fission of some methoxylated benzophenones
Thomas Russell Lea,Robert Robinson J. Chem. Soc. 1926 129 2351

4-氰基苯并苯基酮(1503-49-7) MSDS

基础信息

Name:	4-Cyanobenzophenone Material Safety Data Sheet
Synonym:
CAS:	1503-49-7

Section 1 - Chemical Product ? MSDS Name:4-Cyanobenzophenone Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1503-49-7	4-Cyanobenzophenone		216-126-6

Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause 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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. 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.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1503-49-7: Personal Protective Equipment Eyes: Not available.
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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 109 - 112 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: C14H9NO
Molecular Weight: 207.23

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases, strong reducing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 1503-49-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Cyanobenzophenone - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 1503-49-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1503-49-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1503-49-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A