所有图片(2)
别名:
反式-1-硝基-2-苯亚乙基
线性分子式:
C6H5CH=CHNO2
CAS号:
分子量:
149.15
Beilstein:
1210066
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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![2- {2- [2-（2-巯基乙氧基）乙氧基]乙氧基}乙醇 97%](/deepweb/assets/sigmaaldrich/product/structures/130/969/7d2ec2b4-e0f1-4836-aeb2-139994173612/640/7d2ec2b4-e0f1-4836-aeb2-139994173612.png)
质量水平
检测方案
99%
形式
crystals
bp
250-260 °C (lit.)
mp
55-58 °C (lit.)
储存温度
2-8°C
SMILES字符串
[O-][N+](=O)\C=C\c1ccccc1
InChI
1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChI key
PIAOLBVUVDXHHL-VOTSOKGWSA-N
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警示用语：
Warning
危险声明
危险分类
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
dust mask type N95 (US), Eyeshields, Gloves
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Serendipitous switch: While exploring cis-nitrostyrene as a potential electrophile in Michael-type addition reactions catalysed by the enzyme 4-oxalocrotonate tautomerase (4-OT), it was unexpectedly found that 4-OT catalyses the isomerisation of cis-nitrostyrene to trans-nitrostyrene (k(cat) /K(m) = 1.9×10(3) M(-1) s(-1) ).
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(S)-Proline-catalyzed nitro-Michael additions of aldehydes and ketones to β-nitrostyrene were investigated computationally (MP2/6-311+G**//M06-2X/6-31G**). Contrary to what is usually assumed in organocatalysis, the lowest-energy transition states of proline-catalyzed nitro-Michael reactions do not necessarily involve the carboxylic acid group of the proline
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