Cas no 57531-87-0 (2,4,5-trichloro-6-methoxybenzene-1,3-dicarbonitrile)
57531-87-0 structure
Product Name:2,4,5-trichloro-6-methoxybenzene-1,3-dicarbonitrile
CAS No:57531-87-0
MF:C9H3Cl3N2O
MW:261.491918802261
CID:1604877
PubChem ID:171594
Update Time:2025-04-21
2,4,5-trichloro-6-methoxybenzene-1,3-dicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,4,5-trichloro-6-methoxybenzene-1,3-dicarbonitrile
- 2,4,5-Trichloro-6-methoxyisophthalonitrile
- DB-302302
- 2,4,5-Trichloro-6-methoxyisophthalonitrile #
- 4-Methoxy-2,5,6-trichloro-1,3-benzenedicarbonitrile
- 2,4,5-Trichloro-6-methoxy-1,3-dicyanobenzene
- 1,3-Benzenedicarbonitrile, 4-methoxy-2,5,6-trichloro-
- UXQSHXVXPDJKJU-UHFFFAOYSA-N
- CHEMBL3248151
- 2,5,6-trichloro-4-(methoxy)isophthalonitrile
- 57531-87-0
- BRN 2656786
- Chlorthalonil, 4-methoxy
- 4-Methoxy-2,5,6-trichloroisophthalonitrile
- DTXSID10206152
-
- Inchi： 1S/C9H3Cl3N2O/c1-15-9-5(3-14)6(10)4(2-13)7(11)8(9)12/h1H3
- InChI Key： UXQSHXVXPDJKJU-UHFFFAOYSA-N
- SMILES： ClC1=C(C(C#N)=C(C(C#N)=C1OC)Cl)Cl
Computed Properties
- Exact Mass: 259.93129
- Monoisotopic Mass: 259.931096g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 331
- 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: 3.2
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- PSA: 56.81
2,4,5-trichloro-6-methoxybenzene-1,3-dicarbonitrile Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
57531-87-0 (2,4,5-trichloro-6-methoxybenzene-1,3-dicarbonitrile) Related Products
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