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Pharmaceutical Intermediates
2-amino-5-bromo-4-methylphenol
CAS:
1268153-80-5
MW:
202.051
MF:
C7H8BrNO
 
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Names and ldentifier
Msds
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
2-amino-5-bromo-4-methylphenol
1.2 Synonyms
2-amino-5-bromo-4-methyl-phenol; MFCD19374215; 'MFCD19374215; Phenol, 2-amino-5-bromo-4-methyl-;
1.3 CAS No.
1268153-80-5
1.4 CID
58486931
1.5 Molecular Formula
C7H8BrNO
1.6 Inchi
InChI=1S/C7H8BrNO/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,9H2,1H3
1.7 InChkey
LPXPERJCSIOEKV-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC(=C(C=C1Br)O)N
1.9 Isomers Smiles
CC1=CC(=C(C=C1Br)O)N
2. 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
3. Computed Properties
Molecular Weight:
202.051g/mol
Molecular Formula:
C
7
H
8
BrNO
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:
AAADccBiIAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgBQCAABrAyBmAAyxoBAAgCAAiRCQACCAAAgIgQAiAAHbKgKJiKSkZOAcABk0BEI2heQwAAOIAAgQIAAkABAAECBAAEgAAAAAAAAAA==
4. Toltal 2 Suppliers
View more
Shanghai Do Chemical Co.,Ltd
Tel:
Update Time:
2022/11/29
inquire
Shengda Pharmaceutical Co., Limited
Tel:
Update Time:
2022/07/06
inquire
5. Realated Product Infomation
2-amino-4-bromo-5-methylphenol
cas:848358-81-6
2-amino-4-bromo-3-methylphenol
cas:1154740-46-1
4-Bromo-3-methylphenol
cas:14472-14-1
2-Bromo-4-methylphenol
cas:6627-55-0
4-Bromo-2-methylphenol
cas:2362-12-1
5-Bromo-2-methylphenol
cas:36138-76-8
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Msds
3.
Computational chemical data
4.
Toltal 2 Suppliers
5.
Realated Product Infomation
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