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2-amino-4-bromo-5-methylphenol structure

2-amino-4-bromo-5-methylphenol
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1. Names and Identifiers
1.1 Name
2-amino-4-bromo-5-methylphenol
1.2 Synonyms
2-amino-4-bromo-5-methylphenol;
1.3 CAS No.
848358-81-6
1.4 CID
20251686
1.5 Molecular Formula
C7H8BrNO
1.6 Inchi
InChI=1S/C7H8BrNO/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,9H2,1H3
1.7 InChkey
OVFOSMHDFYXTCQ-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC(=C(C=C1Br)N)O
1.9 Isomers Smiles
CC1=CC(=C(C=C1Br)N)O
2. Properties
2.1 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

View all
4. Synthesis Route
848358-81-6Total: 2 Synthesis Route
 
700-38-9
700-38-9 66 Suppliers
 
848358-81-6
848358-81-6 14 Suppliers
 
182500-28-3
182500-28-3 14 Suppliers
 
848358-81-6
848358-81-6 14 Suppliers
5. Precursor and Product
precursor:
700-38-9
700-38-9
182500-28-3
182500-28-3
6. Computed Properties
  • Molecular Weight：202.051g/mol
  • Molecular Formula：C7H8BrNO
  • Compound Is Canonicalized：True
  • Exact Mass：1.9
  • XLogP3-AA：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==
7. Toltal 13 Suppliers View more
Phenol,2-amino-4-bromo-5-methyl-
Hubei Jiutian Bio-medical Technology Co., Ltd
 1YR   China
Tel: Update Time:2024/09/17
inquire
2-amino-4-bromo-5-methylphenol
Shanghai Forever Synthesis Co.,Ltd.
  China
Tel: Update Time:2019/06/12
inquire
2-amino-4-bromo-5-methylphenol
Finetech Industry limited.
  China
Tel: Update Time:2018/11/21
inquire
2-Amino-4-bromo-5-methylphenol
SHANGHAI ZZBIO CO., LTD.
China
Tel: Update Time:2019/02/23
inquire
2-amino-4-bromo-5-methylphenol
Shang Hai Grade Biochemical Co,. Limited
China
Tel: Update Time:2019/02/25
inquire
8. Realated Product Infomation
 
1. Names and Identifiers
2. Properties
3. Msds
4. Synthesis Route
5. Precursor and Product
6. Computational chemical data
7. Toltal 13 Suppliers
8. Realated Product Infomation
 
 
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