名称和标识符别名信息物化性质安全信息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

外消旋肠二醇-d6 | 109-98-8

中文名称：外消旋肠二醇-d6

英文名称： 2-Pyrazoline

CAS No.： 109-98-8

分子式： C₃H₆N₂

分子量： 70.09314

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：外消旋肠二醇-d6结构式

MSDS：外消旋肠二醇-d6MSDS

PubChem CID： 66962

价格行情：外消旋肠二醇-d6价格

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外消旋肠二醇-d6的其他展现形式

相关化合物

乙醛乙基肼酮

Acetaldehyde,2-ethylhydrazone

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2-Butanone,2-(2-hydroxyethyl)hydrazone

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1-Aza-5-azoniaspiro[4.5]dec-1-ene

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名称和标识符

MDL	P160450
InChIKey	MCGBIXXDQFWVDW-UHFFFAOYSA-N
Inchi	InChI=1S/C3H6N2/c1-2-4-5-3-1/h2,5H,1,3H2
SMILES	C1C=NNC1

别名信息

- 中文别名 -

2-吡唑啉
2-Pyrazoline 2-吡唑啉
2-吡唑烷
外消旋肠二醇-d6

- 英文别名 -

1H-Pyrazole,4,5-dihydro-
2-Pyrazoline
4,5-dihydro-1H-pyrazole
pyrazoline
2-PYRAZOLINE 95+%

EINECS 203-725-2
3,4-Dihydroxycinnamicacid
W1YN47L98V
UNII-W1YN47L98V
Q27292205
4,5-dihydropyrazole
GS-5535
FT-0692371
P0547
36118-45-3
109-98-8
J-002357
1H-Pyrazole, 4,5-dihydro-
AKOS027470068
4,5-Dihydro-1H-pyrazole
CS-0205014
EINECS 252-878-1
F12428
2-PYRAZOLINE [MI]
Pyrazole, dihydro-
NS00041172
DTXSID80870460
4,5-Dihydro-1H-pyrazole, AldrichCPR
.DELTA.2-PYRAZOLINE
InChI=1/C3H6N2/c1-2-4-5-3-1/h2,5H,1,3H
MFCD00059715
2-PYRAZOLINE

物化性质

实验特性

LogP	-0.27010
PSA	24.39000
Merck	14,7961
折射率	1.4870 to 1.4920
沸点	144°C
颜色与性状	具有氨味的无色液体。
溶解性	溶于水及乙醇。
密度	1,02 g/cm3

计算特性

精确分子量	70.05310
氢键供体数量	1
氢键受体数量	2
可旋转化学键数量	0
同位素质量	70.053098
重原子数量	5
复杂度	48.9
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）	-0.2
互变异构体数量	无
表面电荷	0
拓扑分子极性表面积	24.4

安全信息

RTECS号	KO0710000
安全术语	Risk Statements 10Safety Statements 16RIDADR 1993
安全说明	S16
风险术语	R10
危险品运输编号	UN 1993
PackingGroup	III
危险类别码	10
HazardClass	3

海关数据

海关编码	2933199090
海关数据	中国海关编码： 2933199090 概述： 2933199090. 其他结构上有非稠合吡唑环化合物. 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： 2933199090. other compounds containing an unfused pyrazole 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

2933199090

海关数据

中国海关编码：

2933199090

概述：

2933199090. 其他结构上有非稠合吡唑环化合物. 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：

2933199090. other compounds containing an unfused pyrazole 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. Iodine(iii)-mediated intramolecular sulfeno- and selenofunctionalization of β,γ-unsaturated tosyl hydrazones and oximes
Jing-Miao Yu,Chun Cai Org. Biomol. Chem. 2018 16 490
2. Review: biologically active pyrazole derivatives
Anam Ansari,Abad Ali,Mohd Asif,Shamsuzzaman New J. Chem. 2017 41 16
3. l-Proline promoted green and regioselective synthesis of a novel pyrazole based trifluoromethylated fused thiazolopyran scaffold and its biological evaluation
Piyush N. Kalaria,Shailesh P. Satasia,Dipak K. Raval RSC Adv. 2014 4 32353
4. Ferrocenyl based pyrazoline derivatives with vanillic core: synthesis and investigation of their biological properties
Adrijana Burmud?ija,Zoran Ratkovi?,Jovana Mu?kinja,Nenad Jankovi?,Branislav Rankovi?,Marijana Kosani?,Sne?ana ?or?evi? RSC Adv. 2016 6 91420
5. 4,5-Dihydropyrazole derivatives containing oxygen-bearing heterocycles as potential telomerase inhibitors with anticancer activity
Yin Luo,Yang Zhou,Jie Fu,Hai-Liang Zhu RSC Adv. 2014 4 23904
6. Iodine-mediated aminosulfonylation of alkenyl sulfonamides with sulfonyl hydrazides: synthesis of sulfonylmethyl piperidines, pyrrolidines and pyrazolines
Zhong-Qi Xu,Wen-Bo Wang,Lin-Chuang Zheng,Lin Li,Lili Duan,Yue-Ming Li Org. Biomol. Chem. 2019 17 9026
7. Synthesis, and antibacterial activity of novel 4,5-dihydro-1H-pyrazole derivatives as DNA gyrase inhibitors
Jia-Jia Liu,Juan Sun,Yun-Bin Fang,Yong-An Yang,Rui-Hua Jiao,Hai-Liang Zhu Org. Biomol. Chem. 2014 12 998
8. Unveiling a versatile heterocycle: pyrazoline – a review
Beena Varghese,Saleh N. Al-Busafi,FakhrEldin O. Suliman,Salma M. Z. Al-Kindy RSC Adv. 2017 7 46999
9. Cyclization of arylhydrazones of cross-conjugated enynones: synthesis of luminescent styryl-1H-pyrazoles and propenyl-1H-pyrazoles
Radik N. Itakhunov,Ivan S. Odin,Dmitry M. Gusev,Stanislav A. Grabovskiy,Kareem V. Gordon,Anna V. Vologzhanina,Sergey A. Sokov,Ilya M. Sosnin,Alexander A. Golovanov Org. Biomol. Chem. 2022 20 8693
10. Novel coumarin–pyrazoline hybrids: synthesis, cytotoxicity evaluation and molecular dynamics study
Fatma A. Ragab,Amal A. M. Eissa,Samar H. Fahim,Mohammad Alaraby Salem,Mona A. Gamal,Yassin M. Nissan New J. Chem. 2021 45 19043

专业数据库参考

PubChemId	66962

参考资料

Beilstein	P160450

外消旋肠二醇-d6 | 109-98-8

中国海关编码：

概述：

申报要素：

Summary：

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