2-氰基苯甲醛 | 7468-67-9
中文名称:
2-氰基苯甲醛
英文名称:
2-formylbenzonitrile
CAS No.:
7468-67-9
分子式:
C8 H5 NO
分子量:
131.1314
名称和标识符
MDL
MFCD00017503
InChIKey
QVTPWONEVZJCCS-UHFFFAOYSA-N
Inchi
1S/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H
SMILES
O=C([H])C1=C([H])C([H])=C([H])C([H])=C1C#N
BRN
2353599
别名信息
- 中文别名 -
2-氰基苯甲醛
邻氰基苯甲醛
2-氰苯甲醛
2-Cyanobenzaldehyde 2-氰基苯甲醛
2-氰基苯甲醛及合成技术
- 英文别名 -
2-Cyanobenzaldehyde
2-Formylbenzonitrile
o-Cyanobenzaldehyde
Benzonitrile, 2-formyl-
cyanobenzaldehyde
QVTPWONEVZJCCS-UHFFFAOYSA-N
2-formylbenzenecarbonitrile
2-cyano-benzaldehyde
PubChem7409
2-formyl-benzonitrile
2-Formylbenzonitrile #
ORTHO-CYANOBENZALDEHYDE
KSC377O8T
STL163938
NSC400131
BBL0159
2-formylbenzonitrile
J-509204
DTXSID80225653
AC-7338
AKOS000120661
NSC 400131
O10787
PS-3641
7468-67-9
Z147641756
SCHEMBL98563
A838195
InChI=1/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6
MFCD00017503
CHEMBL4469993
Q63399116
FT-0602754
NSC-400131
CS-W004147
2-Cyanobenzaldehyde, 98%
SY005781
AM20060720
EN300-22133
物化性质
实验特性
LogP
1.37078
PSA
40.86000
折射率
1.552
沸点
284.9 °C at 760 mmHg
熔点
102.0 to 109.0 deg-C
闪点
126.1℃
颜色与性状
白色粉末
溶解性
无可用
敏感性
Air Sensitive
密度
1.1500
计算特性
精确分子量
131.03700
氢键供体数量
0
氢键受体数量
2
可旋转化学键数量
1
同位素质量
131.037
重原子数量
10
复杂度
167
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)
1.1
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
40.9
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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