2-氰基苯甲酰胺 | 17174-98-0
中文名称:
2-氰基苯甲酰胺
英文名称:
2-Cyanobenzamide
CAS No.:
17174-98-0
分子式:
C8 H6 N2 O
分子量:
146.1460
名称和标识符
MDL
MFCD00014797
InChIKey
STQPCKPKAIRSEL-UHFFFAOYSA-N
Inchi
1S/C8H6N2O/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H2,10,11)
SMILES
O=C(C1=C([H])C([H])=C([H])C([H])=C1C#N)N([H])[H]
BRN
2085900
别名信息
- 中文别名 -
2-氰基苯甲酰胺
2-Cyanobenzamide 2-氰基苯甲酰胺
2-氰基苯甲酰胺,98%
- 英文别名 -
2-Cyanobenzamide
o-Cyanobenzamide, Pract.
2-Cyan-benzoesaeure-amid
2-cyano-benzamide
2-cyano-benzoic acid amide
Benzamide,2-cyano
Benzamide,o-cyano
EINECS 241-224-0
o-cyanobenzamide
ortho-cyanobenzamide
o-cyano-benzamid
2-cyano-benzamid
PHTHALAMIC NITRILE
TIMTEC-BB SBB007653
Benzamide, 2-cyano- (9CI)
2-CYANOBENZAMIDE 98+%
Benzamide, 2-cyano-
Benzamide, o-cyano-
STQPCKPKAIRSEL-UHFFFAOYSA-N
NSC28289
2-Cyanobenzamide, AldrichCPR
Benzamide, o-cyano- (8CI)
SBB007653
FCH2073519
VZ24457
ST50824016
FT-
O-CYANOBENZAMIDE
2-CYANOBENZAMIDE
ORTHO-CYANOBENZAMIDE
BRN 2085900
FT-0637510
DTXSID9066170
AI3-03760
NSC 28289
CS-0377295
A811347
o-Cyanobenzamide
LS-12209
?2-CYANOBENZAMIDE
17174-98-0
SCHEMBL262368
4-09-00-03268 (Beilstein Handbook Reference)
MFCD00014797
NS00025634
AKOS006228547
T70416
NSC-28289
物化性质
实验特性
LogP
1.35748
PSA
66.88000
折射率
1.4900 (estimate)
沸点
265.75°C (rough estimate)
熔点
172-173°C
闪点
160.3°C
颜色与性状
不确定
溶解性
不确定
密度
1.2312 (rough estimate)
计算特性
精确分子量
146.04800
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
146.048013
重原子数量
11
复杂度
203
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
2
表面电荷
0
拓扑分子极性表面积
66.9
海关数据
海关编码
2926909090
海关数据
中国海关编码:
2926909090
概述:
2926909090 其他腈基化合物. 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
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
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