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相关产品

N-苄基咪唑 | 10364-94-0

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中文名称： N-苄基咪唑

英文名称： N-Benzoylimidazole

CAS No.： 10364-94-0

分子式： C₁₀H₈N₂O

分子量： 172.18332

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：N-苄基咪唑结构式

MSDS： N-苄基咪唑MSDS

PubChem CID： 66319

价格行情： N-苄基咪唑价格

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N-苄基咪唑的其他展现形式

相关化合物

1-(4-甲基苯甲酰基)-1H-咪唑

Methanone,1H-imidazol-1-yl(4-methylphenyl)-

CAS No.：10347-11-2
(1H-咪唑-2-基)-苯甲酮

1H-imidazole, benzoyl-

CAS No.：35312-62-0
(4-ethenylphenyl)-1H-imidazol-1-yl-Methanone

CAS No.：1349117-90-3
3-(1H-imidazol-1-ylcarbonyl)-5-methyl-Benzonitrile

CAS No.：1236311-96-8
1,1'-(1,2-phenylenedicarbonyl)bis-1H-imidazole

CAS No.：68413-79-6
1H-Imidazole, 1-(2,4,6-trimethylbenzoyl)-

CAS No.：81325-25-9

名称和标识符

MDL	MFCD00014499
InChIKey	JEGIFBGJZPYMJS-UHFFFAOYSA-N
Inchi	InChI=1S/C10H8N2O/c13-10(12-7-6-11-8-12)9-4-2-1-3-5-9/h1-8H
SMILES	C1=CC=C(C=C1)C(=O)N2C=CN=C2
BRN	125881

别名信息

- 中文别名 -

5,7-双(三氟甲基)-3-氰基-2-(甲基硫代)吡咯[1,5-A]嘧啶
N-苯甲酰基咪唑
N-苯甲酰咪唑
N-苄基咪唑

- 英文别名 -

Methanone,1H-imidazol-1-ylphenyl-
N-Benzoylimidazole
1-Benzoylimidazole
imidazol-1-yl(phenyl)methanone
1-Benzoyl-1H-imidazole

1H-imidazole,benzoyl
benzoyl imidazole
Imidazole N-1 deriv. 7
imidazolyl phenyl ketone
N-benzoylimidazolide
imidazol-1-yl-phenylmethanone
BDBM7946
(1H-imidazol-1-yl)(phenyl)methanone
42L29D4UCP
FT-0636691
1H-Imidazol-1-ylphenyl-methanone
SY317364
NS00023251
AKOS006229177
CS-W017598
A800777
SCHEMBL1424751
D94770
imidazol-1-yl-phenyl-methanone
DTXSID10145971
EINECS 233-805-2
1-Benzoyl-1H-imidazole #
METHANONE, 1H-IMIDAZOL-1-YLPHENYL-
1H-Imidazole, 1-benzoyl-
1H-Imidazol-1-ylphenylmethanone
FS-1062
MFCD00014499
(1-Imidazolyl)(phenyl)methanone
UNII-42L29D4UCP
10364-94-0

物化性质

实验特性

LogP	1.57160
PSA	34.89000
沸点	120 °C
闪点	120-121°C/0.8mm
颜色与性状	无色液体
溶解性	在水中水解。
敏感性	Moisture Sensitive

计算特性

精确分子量	172.06400
氢键供体数量	0
氢键受体数量	3
可旋转化学键数量	2
同位素质量	172.063662883g/mol
重原子数量	13
复杂度	187
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）	无
互变异构体数量	无
表面电荷	0
拓扑分子极性表面积	34.9Å²

安全信息

安全术语	S26;S36
安全说明	S26-S36/37/39
风险术语	R36/38
危险品标志	Xi
危险类别码	36/38
HazardClass	IRRITANT, MOISTURE SENSITIVE, KEEP COLD

国际标准相关数据

EINECS	233-805-2

海关数据

海关编码	2933290090
海关数据	中国海关编码： 2933290090 概述： 2933290090. 其他结构含非稠合咪唑环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% 申报要素：品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期 Summary： 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

海关编码

2933290090

海关数据

中国海关编码：

2933290090

概述：

2933290090. 其他结构含非稠合咪唑环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

相关文献

1. Photophysical and semiconducting properties of isomeric triphenylimidazole derivatives with a benzophenone moiety
Gintar? Grybauskait?-Kaminskien?,Vygail? Dudkait?,Gintautas Bagd?iūnas New J. Chem. 2021 45 19746
2. Chiral (phosphine)-(imidazoline) PCN pincer palladium(ii) complexes: synthesis and application in asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine
Jun-Jian Huang,Xiao-Qi Zhang,Jing-Jing Yang,Jun-Fang Gong,Mao-Ping Song Dalton Trans. 2022 51 8350
3. A formal [3+2] cycloaddition reaction of N-methylimidazole as a masked hydrogen cyanide: access to 1,3-disubstitued-1H-1,2,4-triazoles
Issa Yavari,Omid Khaledian Chem. Commun. 2020 56 9150
4. Substrate specific closed-loop optimization of carbohydrate protective group chemistry using Bayesian optimization and transfer learning
Natasha Videcrantz Faurschou,Rolf Hejle Taaning,Christian Marcus Pedersen Chem. Sci. 2023 14 6319
5. Substrate specific closed-loop optimization of carbohydrate protective group chemistry using Bayesian optimization and transfer learning
Natasha Videcrantz Faurschou,Rolf Hejle Taaning,Christian Marcus Pedersen Chem. Sci. 2023 14 6319
6. Parasite glycoconjugates. Part 12.1 Synthesis of deoxy, fluorodeoxy and aminodeoxy disaccharide phosphates, substrate analogues for the elongating α-D-mannopyranosylphosphate transferase in the Leishmania
Dmitry V. Yashunsky,Yury E. Tsvetkov,Michael A. J. Ferguson,Andrei V. Nikolaev J. Chem. Soc. Perkin Trans. 1 2002 242
7. Kinetics of the reaction of imidazole with benzoyl fluoride in acetonitrile: a mixed third and fourth order reaction
Otto Rogne J. Chem. Soc. Chem. Commun. 1975 25
8. Investigation of benzoyloximes as benzoylating reagents: benzoyl-Oxyma as a selective benzoylating reagent
Satvika Burugupalli,Sayali Shah,Phillip L. van der Peet,Seep Arora,Jonathan M. White,Spencer J. Williams Org. Biomol. Chem. 2016 14 97
9. Synthesis of β-D-talopyranosides and β-D-mannopyranosides via intramolecular nucleophilic substitution
Irina A. Ivanova,Andrei V. Nikolaev J. Chem. Soc. Perkin Trans. 1 1998 3093
10. Arylazo-glycenosides. Part 8. Synthesis and reactions of some 2- and 3-arylazo-derivatives of methyl 4,6-O-benzylidene-2,3-dideoxy-D-threo-hex-2-enopyranosides
Neeta Dang,V. Ranjith N. Munasinghe,W. George Overend J. Chem. Soc. Perkin Trans. 1 1983 257

专业数据库参考

PubChemId	66319

N-苄基咪唑 | 10364-94-0

中国海关编码：

概述：

申报要素：

Summary：

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