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4-(benzyl(ethyl)amino)benzenediazonium zinc chloride
1. Names and Identifiers
- 1.1 Name
- 4-(benzyl(ethyl)amino)benzenediazonium zinc chloride
- 1.2 Synonyms
- 4-Diazo-N-benzyl-N-ethylaniline Chloride Zinc Chloride; 4-Diazo-N-benzyl-N-ethylaniline Chloride Zinc Chloride >Benzenediazonium, 4-[ethyl(phenylmethyl)amino]-, (T-4)-tetrachlorozincate(2-) (2:1); Benzenediazonium, 4-[ethyl(phenylmethyl)amino]-, (T-4)-tetrachlorozincate(2-) (2:1); Bis[p-(benzylethylamino)benzenediazonium] tetrachlorozincate; Diazo 455M; NSC 13927; Zincate(2-), tetrachloro-, (T-4)-, bis[4-[ethyl(phenylmethyl)amino]benzenediazonium];
- 1.3 CAS No.
- 15280-31-6
- 1.4 CID
- 44630220
- 1.5 EINECS
- 239-321-8
- 1.6 Molecular Formula
- C15H16Cl4N3Zn-
- 1.7 Inchi
- InChI=1S/C15H16N3.4ClH.Zn/c1-2-18(12-13-6-4-3-5-7-13)15-10-8-14(17-16)9-11-15;;;;;/h3-11H,2,12H2,1H3;4*1H;/q+1;;;;;+2/p-4
- 1.8 InChkey
- CIAIWLDLOJBYQD-UHFFFAOYSA-J
- 1.9 Canonical Smiles
- [Cl-][Zn++]([Cl-])([Cl-])[Cl-].CCN(CC1=CC=CC=C1)C1=CC=C(C=C1)[N+]#N
- 1.10 Isomers Smiles
- CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)[N+]#N.CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)[N+]#N.[Cl-].[Cl-].Cl[Zn]Cl
2. Properties
- 2.1 Appearance
- Orange to Brown powder to crystal
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Computed Properties
- Molecular Weight：445.49g/mol
- Molecular Formula：C15H16Cl4N3Zn-
- Compound Is Canonicalized：True
- XLogP3-AA：682.070447
- Monoisotopic Mass：680.073398
- Complexity：282
- Rotatable Bond Count：8
- Hydrogen Bond Donor Count：0
- Hydrogen Bond Acceptor Count：6
- Topological Polar Surface Area：62.8
- Heavy Atom Count：：41
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：5
- CACTVS Substructure Key Fingerprint：AAADcfB7gAAHAAACAAAAAAAAAAAAAAAAAAAwYMGAAAAAAAABVAAAHAAIAAAADAjBGAQywIMAAACAAiRCQACCAAAhAgAIiAAIZIgIICLAkZGEIAhggADIyAcQgAAOAACAAAAAAAAAAQAAAAAAAAAAAAAAAA==
5.Other Information
- Manufacturing Info
- Benzenediazonium, 4-[ethyl(phenylmethyl)amino]-, (T-4)-tetrachlorozincate(2-) (2:1): INACTIVE
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Update Time:2022/01/01
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Update Time:2022/01/01
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Update Time:2022/01/01
7. Realated Product Infomation
EN
