2,4,5-三氯苯甲酸 | 50-82-8
中文名称:
2,4,5-三氯苯甲酸
英文名称:
2,4,5-Trichlorobenzoic acid
CAS No.:
50-82-8
分子式:
C7 H3 Cl3 O2
分子量:
225.4565
名称和标识符
MDL
MFCD01662044
InChIKey
PTFNNDHASFGWFI-UHFFFAOYSA-N
Inchi
1S/C7H3Cl3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
SMILES
ClC1=C([H])C(=C(C([H])=C1C(=O)O[H])Cl)Cl
BRN
1871922
别名信息
- 中文别名 -
2,4,5-三氯苯甲酸
2,4,5-三氯苯甲酸,2,4,5-Trichlorobenzoic acid
三糖铁琼脂培养基TSI
2,3-二氢-1H-苯并[E]茚-1-酮
- 英文别名 -
2,4,5-Trichlorobenzoic acid
Triple Sugar Iron Agar Medium
2,4,5-Trichlorobenzoicacid
Benzoic acid, 2,4,5-trichloro-
9Z293EF6PA
PTFNNDHASFGWFI-UHFFFAOYSA-N
2,5-Trichlorobenzoic acid
WLN: QVR BG DG EG
Benzoic acid,4,5-trichloro-
Benzoic acid,2,4,5-trichloro-
NSC141508
SBB052623
2,4,5-TRICHLOROBENZOIC ACID
UNII-9Z293EF6PA
SCHEMBL2818580
AMY28021
50-82-8
BRN 1871922
CS-W006200
FT-0646273
NSC-141508
MFCD01662044
AI3-33332
DTXSID8075332
NSC 141508
EN300-90653
AS-20074
SY107058
LS-38359
AC-8532
T-1
AKOS015890402
NS00009487
物化性质
实验特性
LogP
3.34500
PSA
37.30000
沸点
334.7°C at 760 mmHg
熔点
166.5°C
蒸气压
0.0±0.8 mmHg at 25°C
闪点
156.2°C
颜色与性状
不可用
溶解性
不可用
密度
1.635 g/cm3
计算特性
精确分子量
223.92000
氢键供体数量
1
氢键受体数量
2
可旋转化学键数量
1
同位素质量
223.92
重原子数量
12
复杂度
186
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)
3.4
拓扑分子极性表面积
37.3
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%
相关文献
1.
CXXXIV.—The chlorination of the dichlorotoluenes in presence of the aluminium-mercury couple. The constitution of the trichlorotoluenes
Julius B. Cohen,Henry D. Dakin J. Chem. Soc. Trans. 1902 81 1324
2.
141. Mechanism of aromatic side-chain reactions, with special reference to the polar effects of substituents. Part X. Physical and chemical evidence relating to the polar effect of o-methyl substituents in derivatives of the type C6H2Me3·CO·CH2R
John W. Baker,William T. Tweed J. Chem. Soc. 1941 796
3.
Organic chemistry
J. Chem. Soc. Abstr. 1912 102 i405
4.
Occurrence and ecological risk assessment of pharmaceuticals and personal care products in Taihu Lake, China: a review
Matthew Nkoom,Guanghua Lu,Jianchao Liu Environ. Sci.: Processes Impacts 2018 20 1640
5.
Controlling miRNA-like off-target effects of an siRNA with nucleobase modifications
Scott R. Suter,Alexi Ball-Jones,Madeline M. Mumbleau,Rachel Valenzuela,Jose Ibarra-Soza,Hassan Owens,Andrew J. Fisher,Peter A. Beal Org. Biomol. Chem. 2017 15 10029
6.
A novel hybrid of 6-chlorotacrine and metal–amyloid-β modulator for inhibition of acetylcholinesterase and metal-induced amyloid-β aggregation
Akiko Kochi,Todd J. Eckroat,Keith D. Green,Abdelrahman S. Mayhoub,Mi Hee Lim,Sylvie Garneau-Tsodikova Chem. Sci. 2013 4 4137
7.
Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles
Ales Reisinger,Paul V. Bernhardt,Curt Wentrup Org. Biomol. Chem. 2004 2 246
8.
Comparative studies on the hypolipidemic, antioxidant and hepatoprotective activities of catechin-enriched green and oolong tea in a double-blind clinical trial
Kamesh Venkatakrishnan,Hui-Fang Chiu,Ju-Chun Cheng,Ya-Hui Chang,Yan-Ying Lu,Yi-Chun Han,You-Cheng Shen,Kun-Shun Tsai,Chin-Kun Wang Food Funct. 2018 9 1205
9.
Notes
John H. High,G. E. Foster,Frank Wokes Analyst 1947 72 60
10.
Recognition of dicarboxylate anions by a ditopic hexaazamacrocycle containing bis-p-xylyl spacers
Sílvia Carvalho,Rita Delgado,Nelson Fonseca,Vítor Félix New J. Chem. 2006 30 247
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