2,5-二甲基苯甲酸 | 610-72-0
中文名称:
2,5-二甲基苯甲酸
英文名称:
2,5-Dimethylbenzoic acid
CAS No.:
610-72-0
分子式:
C9 H1 0 O2
分子量:
150.1745
名称和标识符
MDL
MFCD00002482
InChIKey
XZRHNAFEYMSXRG-UHFFFAOYSA-N
Inchi
1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
SMILES
O([H])C(C1C([H])=C(C([H])([H])[H])C([H])=C([H])C=1C([H])([H])[H])=O
BRN
971588
别名信息
- 中文别名 -
2,5-二甲基苯甲酸
2,5-Dimethylbenzoic Acid 2,5-二甲基苯甲酸
2.5-二甲基苯甲酸
对二甲苯酸
- 英文别名 -
2,5-Dimethylbenzoic acid
p-Xylylic acid
p-Xylene-2-carboxylic Acid
2-Carboxy-1,4-dimethylbenzene
Isoxylic acid
2,5-Dimethylbenzoicacid
Benzoic acid, 2,5-dimethyl-
2,5-Dimethyl benzoic acid
2,5-DiMethyl-Benzoic Acid
RKE5PMK0H6
XZRHNAFEYMSXRG-UHFFFAOYSA-N
2,5-dimethylbenzenecarboxylic acid
2.5-dimethylbenzoic acid
KSC489O8N
RARECHEM AL BO 0034
TIMTEC-BB SBB0
EINECS 210-235-2
EINECS 210-235-2
EINECS 210-235-2
FT-0610460
FT-0610460
FT-0610460
Z85921039
Z85921039
Z85921039
HMS1767P14
HMS1767P14
InChI=1/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11
HMS1767P14
InChI=1/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11
AM20050120
InChI=1/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11
AM20050120
2,5-dimethylbenzoic acid (en)
AM20050120
2,5-dimethylbenzoic acid (en)
AC-3055
2,5-dimethylbenzoic acid (en)
AC-3055
610-72-0
AC-3055
610-72-0
FS-2352
610-72-0
FS-2352
EN300-18586
FS-2352
EN300-18586
Q27133470
EN300-18586
AKOS000119551
Q27133470
Q27133470
AKOS000119551
CS-W018147
AKOS000119551
CS-W018147
UNII-RKE5PMK0H6
CS-W018147
UNII-RKE5PMK0H6
SY003687
UNII-RKE5PMK0H6
F2182-0128
SY003687
SY003687
F2182-0128
2,5-Dimethylbenzoic acid, 95%
F2182-0128
2,5-Dimethylbenzoic acid, 95%
2,5-Dimethylbenzoic acid, 95%
2,5-DIMETHYLBENZOIC ACID
2,5-DIMETHYLBENZOIC ACID
DTXSID2060591
2,5-DIMETHYLBENZOIC ACID
DTXSID2060591
2,5-Dimethylbenzoic acid, Vetec(TM) reagent grade, 97%
DTXSID2060591
2,5-Dimethylbenzoic acid, Vetec(TM) reagent grade, 97%
W-105202
2,5-Dimethylbenzoic acid, Vetec(TM) reagent grade, 97%
W-105202
CK2188
W-105202
MFCD00002482
CK2188
CK2188
MFCD00002482
CHEBI:64825
MFCD00002482
CHEBI:64825
D1433
CHEBI:64825
D1433
SCHEMBL223101
D1433
SCHEMBL223101
AE-562/43387288
SCHEMBL223101
AE-562/43387288
NS00034554
AE-562/43387288
NS00034554
NS00034554
物化性质
实验特性
LogP
2.00160
PSA
37.30000
折射率
1.5188 (estimate)
沸点
268 °C(lit.)
熔点
132-134 °C (lit.)
闪点
268℃subl.
溶解度
Solubility - Very faint turbidity with Methanol.
颜色与性状
白色粉末或晶体。
密度
1.069(lit.)
计算特性
精确分子量
150.06800
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
150.068
重原子数量
11
复杂度
154
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)
2.2
表面电荷
0
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.
Chemical constitution and the dissociation constants of monocarboxylic acids. Part XIII. Some alkylbenzoic acids exhibiting steric effects
J. F. J. Dippy,S. R. C. Hughes,J. W. Laxton J. Chem. Soc. 1954 1470
2.
Acid–base equilibria of substituted benzoic acids. Part I
J. M. Wilson,N. E. Gore,J. E. Sawbridge,F. Cardenas-Cruz J. Chem. Soc. B 1967 852
3.
p-Xylene from 2,5-dimethylfuran and acrylic acid using zeolite in a continuous flow system
Jose Alirio Mendoza Mesa,Francesco Brandi,Irina Shekova,Markus Antonietti,Majd Al-Naji Green Chem. 2020 22 7398
4.
Synergistic Fe(iii) and acid sites in SiW@MIL-100(Fe) catalyst prompt the synthesis of p-xylene from biomass derivatives
Wenjing Wang,Qing Wang,Ruofan Li,Di Zeng,Juxue Wang,Yu Zhang,Ling Zhang,Haiming Liu,Wenzhong Wang Green Chem. 2023 25 3916
5.
Advances in Diels–Alder/aromatization of biomass furan derivatives towards renewable aromatic hydrocarbons
Zao Li,Yiyuan Jiang,Yuncong Li,Heng Zhang,Hu Li,Song Yang Catal. Sci. Technol. 2022 12 1902
6.
Advances in Diels–Alder/aromatization of biomass furan derivatives towards renewable aromatic hydrocarbons
Zao Li,Yiyuan Jiang,Yuncong Li,Heng Zhang,Hu Li,Song Yang Catal. Sci. Technol. 2022 12 1902
7.
Exploring the structural landscape of 2-aminopyrazines via co-crystallizations
Christer B. Aaker?y,Prashant D. Chopade,Claudia Ganser,Arbin Rajbanshi,John Desper CrystEngComm 2012 14 5845
8.
New AMD3100 derivatives for CXCR4 chemokine receptor targeted molecular imaging studies: synthesis, anti-HIV-1 evaluation and binding affinities
Sophie Poty,Pauline Désogère,Christine Goze,Frédéric Boschetti,Thomas D‘huys,Dominique Schols,Christopher Cawthorne,Stephen J. Archibald,Helmut R. Ma?cke,Franck Denat Dalton Trans. 2015 44 5004
9.
Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly
Nandini Sarkar,Abhijeet S. Sinha,Christer B. Aaker?y CrystEngComm 2019 21 6048
10.
Treatment of coal gasification wastewater by anaerobic SBR–aerobic SBR process for elimination of toxic organic matters-a lab scale study
Salma Tabassum,Qinhong Ji,Sufia Hena,Chunfeng Chu,Guangxin Yu,Zhenjia Zhang RSC Adv. 2015 5 58334
参考资料
Reaxys RN
971588
Beilstein
971588
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