2-amino-4-bromo-5-méthylphénol
- Nom de l'IUPAC：2-amino-4-bromo-5-methylphenol
- Numéro CAS: 848358-81-6
- Masse moléculaire：202.05
1. nom et identifiant
- 1.1 Nom du produit
- 2-amino-4-bromo-5-méthylphénol
- 1.2 synonymes
2-amino-4-bromo-5-methylphenolPhenol,2-aMino-4-broMo-5-Methyl-
- 1.3 Numéro CAS
- 848358-81-6
- 1.4 CID
- 20251686
- 1.5 Formule moléculaire
- 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 Canonique SMILES
- CC1=CC(=C(C=C1Br)N)O
- 1.9 Isomérique SMILES
- CC1=CC(=C(C=C1Br)N)O
2. Propriétés
- 2.1 Densité
- 1.647
- 2.2 Point d'ébullition
- 288.3°C at 760 mmHg
- 2.3 Indice de réfraction
- 1.653
- 2.4 Point d'éclair
- 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. Route synthétique
848358-81-6Total: 2 Route synthétique
5. Précurseurs et produits
6. données chimiques calculées
- Masse moléculaire: 202.051g/mol
- Formule moléculaire: 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. informations réelles sur le produit
skype
5YRS
