Cas no 3336-19-4 (2,6-dichloro-4-hydroxybenzonitrile)
3336-19-4 structure
Product Name:2,6-dichloro-4-hydroxybenzonitrile
CAS No:3336-19-4
MF:C7H3Cl2NO
MW:188.010819673538
CID:1457114
PubChem ID:18747
Update Time:2025-04-20
2,6-dichloro-4-hydroxybenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,6-dichloro-4-hydroxybenzonitrile
- benzonitrile, 2,6-dichloro-4-hydroxy-
- DTXSID40186973
- BRN 2096238
- KEVQPVCRSMUYCT-UHFFFAOYSA-N
- 4-hydroxy-2,6-dichlorobenzonitrile
- 3336-19-4
- SCHEMBL1900659
- 4-Hydroxydichlobenil
-
- Inchi： 1S/C7H3Cl2NO/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,11H
- InChI Key： KEVQPVCRSMUYCT-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=C(C=1C#N)Cl)O
Computed Properties
- Exact Mass: 186.95929
- Monoisotopic Mass: 186.959169
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 176
- 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: 3.1
- Topological Polar Surface Area: 44
Experimental Properties
- Density: 1.57
- Boiling Point: 360.8°C at 760 mmHg
- Flash Point: 172°C
- Refractive Index: 1.628
- PSA: 44.02
2,6-dichloro-4-hydroxybenzonitrile Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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