2-amino-4-bromo-5-metilfenol
- IUPAC Nombre：2-amino-4-bromo-5-methylphenol
- CAS Registry Number: 848358-81-6
- Peso molecular：202.05
1. Nombres y Identificadores
- 1.1 Nombre del producto
- 2-amino-4-bromo-5-metilfenol
- 1.2 Sinónimos
2-amino-4-bromo-5-methylphenolPhenol,2-aMino-4-broMo-5-Methyl-
- 1.3 CAS Registry Number
- 848358-81-6
- 1.4 CID
- 20251686
- 1.5 Fórmula molecular
- C7H8BrNO (isomer)
- 1.6 Inchi
- InChI=1S/C7H8BrNO/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,9H2,1H3
- 1.7 InchiKey
- OVFOSMHDFYXTCQ-UHFFFAOYSA-N
- 1.8 Canónico SMILES
- CC1=CC(=C(C=C1Br)N)O
- 1.9 Isómero SMILES
- CC1=CC(=C(C=C1Br)N)O
2. Propiedades
- 2.1 Densidad
- 1.647
- 2.2 Punto de Hierro
- 288.3°C at 760 mmHg
- 2.3 Índice refractivo
- 1.653
- 2.4 Punto de Flash
- 128.1°C
- 2.5 PSA
- 46.25000
- 2.6 logP
- 2.62650
- 2.7 pKa
- 9.31±0.23(Predicted)
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. Árbol de objetos
848358-81-6Total: 2 Árbol de objetos
5. Precursores y productos
6. Datos químicos computacionales
- Peso molecular: 202.051g/mol
- Fórmula molecular: C7H8BrNO
- Compound Is Canonicalized: True
- XLogP3-AA: 1.9
- Exact Mass: 200.97893
- Monoisotopic Mass: 200.97893
- Complexity: 120
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 46.2
- Heavy Atom Count: 10
- 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: 1
- CACTVS Substructure Key Fingerprint: AAADccBiIAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgBQCAABrAyBmAAyxoBAAgCAAiRCQACCAAAgIgQAiAAHbKgKJiKSkZOAcABk0BEI2heQwBAOCBABAAEAkAAQIAIAAgEgAAAAAAAAAA==
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8. información real del producto
skype
5YRS
