二苯乙酸 | 117-34-0
中文名称:
二苯乙酸
英文名称:
2,2-diphenylacetic acid
CAS No.:
117-34-0
分子式:
C1 4 H1 2 O2
分子量:
212.2439
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:二苯乙酸结构式
名称和标识符
MDL
MFCD00004251
InChIKey
PYHXGXCGESYPCW-UHFFFAOYSA-N
Inchi
1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
SMILES
O([H])C(C([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O
BRN
1910978
别名信息
- 中文别名 -
二苯乙酸
二苯基乙酸
α-苯基苯乙酸
2,2-二苯基乙酸
2,2,6,6-四甲基-3,5-庚烷二酮
Diphenylacetic Acid 二苯基乙酸
二***
二苯醋酸
二苯甲烷-α-羧酸
二苯甲烷-Α-甲酸
二苯基乙酸,99%
二苯基乙酸,98%
2,2-二苯基乙酸 25G
- 英文别名 -
2,2-Diphenylacetic acid
Benzeneacetic acid, alpha-phenyl-
Diphenylacetic acid
1,1-Diphenylacetic acid
Acetic acid,diphenyl
Diphenylethanoic acid
Diphenylmethane-α-carboxylic Acid
EINECS 204-185-0
DPAA
'LGC' (2406)
diphenyl-aceticaci
RARECHEM AL BO 1083
DiphenyleaceticAcid
Biphenylacetic acid
Two phenylacetic acid
diphenylethanoicacid
Acetic acid, diphenyl-
Benzeneacetic acid, .alpha.-phenyl-
Diphenyl-acetic acid
alpha-Toluic acid, alpha-phenyl-
658NCZ0NKO
PYHXGXCGESYPCW-UHFFFAOYSA-N
.alpha.,.alpha.-Diphenylacetic acid
.alpha.-Toluic acid, .alpha.-phenyl-
A-Toluic Acid, A-Phenyl-
Diphenylacetic acid, 99+%
DIPHENYLACETIC ACID
2,2-diphenylacetic acid
Z104477292
DB03588
NS00023782
4-09-00-02492 (Beilstein Handbook Reference)
CS-W008595
2,2-diphenyl-acetic acid
NSC-8742
UNII-658NCZ0NKO
.ALPHA.-PHENYLBENZENEACETIC ACID
PYHXGXCGESYPCW-UHFFFAOYSA-
AKOS000119583
SCHEMBL38022
SMR000112185
SR-01000389184
AR3860
BRN 1910978
bmse000721
Diphenylmethane-alpha-carboxylic Acid
NCGC00247023-01
Diphenylacetic acid-Melting point 147.26 degrees C
PB39724
117-34-0
CHEMBL1232181
HMS2270K07
Q27094513
CHEBI:41967
MFCD00004251
2,2-Diphenylaceticacid
Diphenylacetic acid - Melting point 147.26 masculineC
Oprea1_633306
NSC120417
2,2-di(phenyl)acetic acid
NSC8742
Benzeneacetic acid, I+/--phenyl-
alpha-phenylbenzeneacetic acid
NSC-120417
NSC 120417
STR02769
D-6050
SY011402
DIPHENYLACETIC ACID [MI]
D0869
EN300-20209
Diphenylacetic acid, 99%
MLS001066368
F0347-1724
InChI=1/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
AI3-23777
AMY3794
FT-0625249
diphenyl acetic acid
SR-01000389184-1
DTXSID0059453
物化性质
实验特性
LogP
2.90310
PSA
37.30000
Merck
3316
折射率
1.6000 (estimate)
水溶性
Slightly soluble in water(0.13g/L).
沸点
195℃/25mmHg(lit.)
熔点
146.0 to 149.0 deg-C
闪点
195℃/25mm
溶解度
0.13g/l
颜色与性状
White to Yellow Solid
PH值
3.8 (H2O, 20℃)(saturated solution)
溶解性
易溶于热水、热乙醇,溶于乙醚、氯仿,微溶于冷水。
酸度系数(pKa)
3.94(at 25℃)
密度
1,257 g/cm3
计算特性
精确分子量
212.08400
氢键供体数量
1
氢键受体数量
2
可旋转化学键数量
3
同位素质量
212.084
重原子数量
16
复杂度
207
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
37.3
海关数据
海关编码
29163900
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%
生产方法和用途
方法
由二苯羟乙酸还原而得。
用途
用于有机合成
生产方法
由二苯羟乙酸还原而得。
相关文献
1.
High desolvation temperature facilitates the ESI-source H/D exchange at non-labile sites of hydroxybenzoic acids and aromatic amino acids
Alexander Zherebker,Yury Kostyukevich,Alexey Kononikhin,Vitaliy A. Roznyatovsky,Igor Popov,Yuri K. Grishin,Irina V. Perminova,Eugene Nikolaev Analyst 2016 141 2426
2.
Transition-metal-free visible-light photoredox catalysis at room-temperature for decarboxylative fluorination of aliphatic carboxylic acids by organic dyes
Xinxin Wu,Chunna Meng,Xiaoqian Yuan,Xiaotong Jia,Xuhong Qian,Jinxing Ye Chem. Commun. 2015 51 11864
3.
Photoinduced Decarboxylation of Aryl-substituted Carboxylic Acids Using HgO. A New Photo-Kolbe Reaction Pathway
Mohammad H. Habibi,Saeid Farhadi J. Chem. Res. (S) 1998 776
4.
One-pot method for the synthesis of 1-aryl-2-aminoalkanol derivatives from the corresponding amides or nitriles
Jan Otevrel,David Svestka,Pavel Bobal RSC Adv. 2020 10 25029
5.
Synthesis and derivatization of hetera-buckybowls
Wenbo Wang,Xiangfeng Shao Org. Biomol. Chem. 2021 19 101
6.
FeCl3-catalyzed oxidative decarboxylation of aryl/heteroaryl acetic acids: preparation of selected API impurities
Chinnakuzhanthai Gangadurai,Giri Teja Illa,D. Srinivasa Reddy Org. Biomol. Chem. 2020 18 8459
7.
Mechanistic insights into the dearomative diborylation of pyrazines: a radical or non-radical process?
Liuzhou Gao,Hanyin Zhang,Xueting Liu,Guoqiang Wang,Shuhua Li Dalton Trans. 2021 50 6982
8.
Crystal structure, molecular packing, FMO, NBO, nonlinear optical and optical limiting properties of an organic imidazolium diphenylacetate diphenylacetic acid single crystal
RO. MU. Jauhar,Paavai Era,V. Viswanathan,P. Vivek,G. Vinitha,Velmurugan D.,P. Murugakoothan New J. Chem. 2018 42 2439
9.
Kinetic resolution of racemic α-hydroxyphosphonates by asymmetric esterification using achiral carboxylic acids with pivalic anhydride and a chiral acyl-transfer catalyst
Isamu Shiina,Keisuke Ono,Takayoshi Nakahara Chem. Commun. 2013 49 10700
10.
Kinetic resolution of racemic α-hydroxyphosphonates by asymmetric esterification using achiral carboxylic acids with pivalic anhydride and a chiral acyl-transfer catalyst
Isamu Shiina,Keisuke Ono,Takayoshi Nakahara Chem. Commun. 2013 49 10700
参考资料
Reaxys RN
1910978
Beilstein
9,673
960化工网为您提供二苯乙酸专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:117-34-0,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等