2-methoxy-4-(phenylamino)benzenediazonium chloride
- Iupac Name：4-anilino-2-methoxybenzenediazonium;chloride
- CAS No.: 13510-60-6
- Molecular Weight：261.709
- Modify Date.: 2022-11-26 03:43
1. Names and Identifiers
- 1.1 Name
- 2-methoxy-4-(phenylamino)benzenediazonium chloride
- 1.2 Synonyms
2-methoxy-4-(phenylamino)benzenediazonium chloride 3-Methoxydiphenylamine-4-diazonium chloride 4-anilino-2-methoxybenzenediazonium chloride Benzenediazonium, 2-methoxy-4-(phenylamino)-, chloride Benzenediazonium, 2-methoxy-4-(phenylamino)-, chloride (1:1) Benzenediazonium, 4-anilino-2-methoxy-, chloride Einecs 236-843-8
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- 1.3 CAS No.
- 13510-60-6
- 1.4 CID
- 83540
- 1.5 EINECS(EC#)
- 236-843-8
- 1.6 Molecular Formula
- C13H12ClN3O (isomer)
- 1.7 Inchi
- InChI=1S/C13H12N3O.ClH/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;/h2-9,15H,1H3;1H/q+1;/p-1
- 1.8 InChIkey
- CYOTVRXTHZXYAN-UHFFFAOYSA-M
- 1.9 Canonical Smiles
- COC1=C(C=CC(=C1)NC2=CC=CC=C2)[N+]#N.[Cl-]
- 1.10 Isomers Smiles
- COC1=C(C=CC(=C1)NC2=CC=CC=C2)[N+]#N.[Cl-]
2. Properties
- 2.1 Density
- g/cm3
- 2.1 Boiling point
- °Cat760mmHg
- 2.1 Flash Point
- °C
- 2.1 PSA
- 49.41000
- 2.1 logP
- 1.00038
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. Other Information
- 4.0 Manufacturing Info
- Benzenediazonium, 2-methoxy-4-(phenylamino)-, chloride (1:1): INACTIVE
5. Computational chemical data
- Molecular Weight: 261.709g/mol
- Molecular Formula: C13H12ClN3O
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 261.0668897
- Monoisotopic Mass: 261.0668897
- Complexity: 280
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 49.4
- Heavy Atom Count: 18
- 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: 2
- CACTVS Substructure Key Fingerprint: AAADccBzIAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAYAAAACAyBkAIyxoLABACAACRCQACCCAAhIgAIiAAHbIgOJmLEsZuFMChm0BnI6AeQUAMAAACAAgAAEAAAAQAEAAAgAAAAAAAAAA==
6. Recommended Suppliers
7. Realated Product Infomation
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