简介名称和标识符别名信息物化性质安全信息国际标准相关数据海关数据相关文献专业数据库参考参考资料相关分类相关产品

苯基环戊酸 | 77-55-4

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中文名称：苯基环戊酸

英文名称： 1-phenylcyclopentane-1-carboxylic acid

CAS No.： 77-55-4

分子式： C₁₂H₁₄O₂

分子量： 190.2384

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：苯基环戊酸结构式

MSDS：苯基环戊酸MSDS

PubChem CID： 87557846

价格行情：苯基环戊酸价格

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苯基环戊酸的其他展现形式

相关化合物

苯基丁二酸

Phenyl succinic acid

CAS No.：635-51-8
α-异丙基苯基乙酸

3-Methyl-2-phenylbutyric acid

CAS No.：3508-94-9
α-苯基环戊基乙酸

2-Cyclopentyl-2-phenylacetic acid

CAS No.：3900-93-4
1-苯基环丙烷羧酸

1-Phenylcyclopropanecarboxylic acid

CAS No.：6120-95-2
(S)-( )-苯基丁二酸

(S)-2-Phenylsuccinic acid

CAS No.：4036-30-0
(R)-(-)-2-苯基丁酸

(R)-(-)-2-Phenylbutyric acid

CAS No.：938-79-4

简介

苯基环戊酸（C12H13O2），一个苯基取代一个氢得到的酸。

名称和标识符

MDL	MFCD00001372
InChIKey	RHPCYZLXNNRRMB-UHFFFAOYSA-N
Inchi	1S/C12H14O2/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)
SMILES	O([H])C(C1(C2C([H])=C([H])C([H])=C([H])C=2[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])=O
BRN	1638653

别名信息

- 中文别名 -

苯基环戊酸
1-苯基环戊基甲酸
1-苯基环戊酸
1-苯基-1-环戊烷羧酸
1-苯基-1-环戊烷甲酸

1-Phenyl-1-cyclopentanecarboxylic Acid 1-苯基-1-环戊烷甲酸
1-苯基-1-环戊甲酸
1-苯基环戊甲酸
1-苯基环戊烷羧酸
喷托维林杂质A
喷托维林杂质A EP标准品
喷扎韦林杂质A(EP) 标准品

- 英文别名 -

1-Phenylcyclopentanecarboxylic acid
1-Phenyl-1-cyclopentanecarboxylic acid
1-phenylcyclopentane-1-carboxylic acid
NSC 19462
1-Phenylcyclopentane-1-carboxylicacid

Cyclopentanecarboxylic acid, 1-phenyl-
1-Phenyl-cyclopentanecarboxylic acid
Cyclopentanecarboxylicacid, 1-phenyl-
RHPCYZLXNNRRMB-UHFFFAOYSA-N
1-phenylcyclopentane carboxylic acid
PubChem22923
ChemDiv2_000060
phenylcyclopentanecarboxylic aci
EINECS 201-037-7
RHPCYZLXNNRRMB-UHFFFAOYSA-
P1487
A22518
Z104484856
(1-phenylcyclopentyl)carboxylic acid
phenylcyclopentane carboxylic acid
AC-22900
InChI=1/C12H14O2/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)
AKOS000109346
SR-01000393649
BDBM50293438
MFCD00001372
CHEMBL554543
SCHEMBL65167
77-55-4
SY009942
NSC19462
FT-0608256
1-Phenylcyclopentane-carboxylic acid
AS-63103
VU0085899-2
Pentoxyverine impurity A
NSC-19462
EU-0034002
HMS1369C16
F0037-3251
1-Phenyl-1-cyclopentanecarboxylic acid, 98%
R28U7T7UPL
phenylcyclopentanecarboxylic acid
STK179587
BB 0245004
Pentoxyverine Hydrogen Citrate Imp. A (EP)
Pentoxyverine Imp. A (EP)
1-Phenylcyclopentanecarboxylic Acid
Pentoxyverine Hydrogen Citrate Impurity A
Pentoxyverine Impurity A
DTXSID00227811
1-PHENYLCYCLOPENTAN-1-CARBOXYLIC ACID
F19585
EN300-20917
SR-01000393649-1
1-Phenylcyclopentane-1-carboxylic acid
UNII-R28U7T7UPL
CS-W004120
CCG-103517
Pentoxyverine impurity A, European Pharmacopoeia (EP) Reference Standard
NS00020887

物化性质

实验特性

LogP	2.58300
PSA	37.30000
折射率	1.4970 (estimate)
沸点	338.8 ℃ at 760 mmHg
熔点	159-161 °C (lit.)
闪点	157.1℃
颜色与性状	不确定。
溶解性	不确定。
密度	1.0486 (rough estimate)

计算特性

精确分子量	190.09900
氢键供体数量	1
氢键受体数量	2
可旋转化学键数量	2
同位素质量	190.09938
重原子数量	14
复杂度	210
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）	2.8
互变异构体数量	无
表面电荷	0
拓扑分子极性表面积	37.3

安全信息

WGK Germany	3
安全术语	S26;S37/39
安全说明	S37/39-S26
风险术语	R36/37/38
危险品标志	Xi
危险品运输编号	NONH for all modes of transport
储存条件	储存于阴凉,干燥的地方。不使用时保持容器关闭。
危险类别码	R36/37/38
HazardClass	IRRITANT

国际标准相关数据

EINECS	201-037-7

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%

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%

相关文献

1. Iron-catalyzed ring-opening of cyclic carboxylic acids enabled by photoinduced ligand-to-metal charge transfer
Jia-Lin Tu,Han Gao,Mengqi Luo,Lulu Zhao,Chao Yang,Lin Guo,Wujiong Xia Green Chem. 2022 24 5553
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Soumyadip Das,Kaushik Chanda RSC Adv. 2021 11 32680
3. Tropane alkaloids
G. Fodor,R. Dharanipragada Nat. Prod. Rep. 1990 7 539
4. Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand
Liping Guo,Changjia Guo,Shuqi Peng,Renyuan Song New J. Chem. 2022 46 2465
5. Bifunctional oligofluorene-cored carbazole dendrimers as solution-processed blue emitters and hole transporters for electroluminescent devices
Preecha Moonsin,Narid Prachumrak,Supawadee Namuangruk,Siriporn Jungsuttiwong,Tinnagon Keawin,Taweesak Sudyoadsuk,Vinich Promarak J. Mater. Chem. C 2014 2 5540
6. Useful reactions of nucleophiles with some methylsulphonyl derivatives of nitrogen heterocycles
G. B. Barlin,W. V. Brown J. Chem. Soc. C 1967 2473
7. Controlled design of oligomeric ethers with pendant cyclopentadienyliron moieties
Alaa S. Abd-El-Aziz,Christine R. de Denus,Michael J. Zaworotko,Leonard R. MacGillivray J. Chem. Soc. Dalton Trans. 1995 3375
8. Synthesis, crystal structure and magnetic properties of novel heterobimetallic malonate-bridged MIIReIV complexes (M = Mn, Fe, Co and Ni)
Alicia Cuevas,Carlos Kremer,Leopoldo Suescun,Silvia Russi,Alvaro W. Mombrú,Francesc Lloret,Miguel Julve,Juan Faus Dalton Trans. 2007 5305
9. The synthesis and chemistry of azolenines. Part 8. The Paal-Knorr reaction with cyclic 2-(acylmethyl)-2-alkyl-1,3-diketones: isolation of 1-acyl-1H-pyrroles via rearrangement
Prem Nath Maini,Michael P. Sammes,Alan R. Katritzky J. Chem. Soc. Perkin Trans. 1 1988 161
10. Differential binding of a facultative tridentate ligand 4-(benzimidazol-2-yl)-3-thiabutanoic acid to CuII and NiII
Craig J. Matthews,Sarah L. Heath,Mark R. J. Elsegood,William Clegg,Troy A. Leese,Joyce C. Lockhart J. Chem. Soc. Dalton Trans. 1998 1973

专业数据库参考

PubChemId	87557846

参考资料

Reaxys RN	1638653
Beilstein	9(2)418

苯基环戊酸 | 77-55-4

中国海关编码：

概述：

申报要素：

Summary：

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