Cas no 877-12-3 (1,2-Benzenediamine,3,4,5,6-tetrachloro-)
877-12-3 structure
Product Name:1,2-Benzenediamine,3,4,5,6-tetrachloro-
CAS No:877-12-3
MF:C6H4Cl4N2
MW:245.921357154846
CID:733933
PubChem ID:281791
Update Time:2025-04-19
1,2-Benzenediamine,3,4,5,6-tetrachloro- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediamine,3,4,5,6-tetrachloro-
- 3,4,5,6-tetrachlorobenzene-1,2-diamine
- UTHMAQRYDNMLPJ-UHFFFAOYSA-N
- SCHEMBL4705260
- NSC134675
- 1,2-Diamino-3,4,5,6-tetrachlorobenzene
- DTXSID90300081
- 877-12-3
- NSC-134675
-
- Inchi： 1S/C6H4Cl4N2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H2
- InChI Key： UTHMAQRYDNMLPJ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=C(C(=C1N)N)Cl)Cl)Cl
Computed Properties
- Exact Mass: 245.91
- Monoisotopic Mass: 243.913
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 150
- 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: 3.8
- Topological Polar Surface Area: 52?2
Experimental Properties
- Density: 1.734
- Boiling Point: 376.8°Cat760mmHg
- Flash Point: 181.7°C
- Refractive Index: 1.691
1,2-Benzenediamine,3,4,5,6-tetrachloro- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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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
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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