Cas no 99902-85-9 (2-(3,4-dichlorophenoxy)benzonitrile)
99902-85-9 structure
Product Name:2-(3,4-dichlorophenoxy)benzonitrile
CAS No:99902-85-9
MF:C13H7Cl2NO
MW:264.106781244278
CID:1992929
PubChem ID:514863
Update Time:2025-04-21
2-(3,4-dichlorophenoxy)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(3,4-dichlorophenoxy)benzonitrile
- benzonitrile, 2-(3,4-dichlorophenoxy)-
- DTXSID60244327
- 99902-85-9
- SCHEMBL9121316
- AKOS009047297
- CHEMBL139498
- RUHGJWKIGJKQEW-UHFFFAOYSA-N
-
- Inchi： 1S/C13H7Cl2NO/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7H
- InChI Key： RUHGJWKIGJKQEW-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(=C1)OC1C=CC=CC=1C#N)Cl
Computed Properties
- Exact Mass: 262.99
- Monoisotopic Mass: 262.99
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 301
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 33?2
Experimental Properties
- Density: 1.4
- Boiling Point: 374.3°C at 760 mmHg
- Flash Point: 180.2°C
- Refractive Index: 1.633
2-(3,4-dichlorophenoxy)benzonitrile Related Literature
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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