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| CAS No.: | 100-05-0 |
|---|---|
| Name: | 4-nitrobenzenediazonium chloride |
| Molecular Structure: | |
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| Formula: | C6H4ClN3O2 |
| Molecular Weight: | 185.57 |
| Synonyms: | Benzenediazonium,4-nitro-, chloride (9CI);Benzenediazonium, p-nitro-, chloride (8CI);p-Nitrobenzenediazonium chloride (6CI,7CI);4-Nitrophenyldiazonium chloride;Red 2G Salt;p-Nitrophenyldiazonium chloride;para-Nitrophenyldiazonium chloride; |
| EINECS: | 202-814-3 |
| Melting Point: | 243-243.5 °C |
| PSA: | 73.97000 |
| LogP: | -0.39342 |
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Specification
The Benzenediazonium,4-nitro-, chloride (1:1), with the CAS registry number 100-05-0 and EINECS registry number 202-814-3, has the systematic name and IUPAC name of 4-nitrobenzenediazonium chloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H4ClN3O2.
The characteristics of Benzenediazonium,4-nitro-, chloride (1:1) are as followings: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 0; (4)Exact Mass: 184.999204; (5)MonoIsotopic Mass: 184.999204; (6)Topological Polar Surface Area: 74; (7)Heavy Atom Count: 12; (8)Formal Charge: 0; (9)Complexity: 194; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter: Count 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].N#[N+]c1ccc([N+]([O-])=O)cc1
(2)InChI: InChI=1/C6H4N3O2.ClH/c7-8-5-1-3-6(4-2-5)9(10)11;/h1-4H;1H/q+1;/p-1
(3)InChIKey: GAVPOWTXUZVFML-REWHXWOFAT