2-Isopropyl-4-bromo-5-methylphenol
- Iupac Name：4-bromo-5-methyl-2-propan-2-ylphenol
- CAS No.: 15062-34-7
- Molecular Weight：229.117
- Modify Date.: 2022-11-25 14:28
1. Names and Identifiers
- 1.1 Name
- 2-Isopropyl-4-bromo-5-methylphenol
- 1.2 Synonyms
4-Brom-2-isopropyl-5-methylphenol 4-bromo-2-isopropyl-5-methylphenol 4-bromo-2-isopropyl-5-methyl-phenol 4-Bromo-5-methyl-2-(1-methylethyl)phenol 4-bromo-5-methyl-2-propan-2-ylphenol 4-bromothymol 4-Brom-thymol 6-Brom-3-hydroxy-p-cymol 6-Brom-3-oxy-1-methyl-4-isopropyl-benzol 6-Bromothymol Bromothymol Killvermyl para 4-bromothymol Thymol,6-bromo Vermella
- View all
- 1.3 CAS No.
- 15062-34-7
- 1.4 CID
- 203726
- 1.5 Molecular Formula
- C10H13BrO (isomer)
- 1.6 Inchi
- InChI=1S/C10H13BrO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3
- 1.7 InChIkey
- ZSIQWWYOUYOECH-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CC1=CC(=C(C=C1Br)C(C)C)O
- 1.9 Isomers Smiles
- CC1=CC(=C(C=C1Br)C(C)C)O
2. Properties
- 2.1 Density
- 1.344
- 2.1 Melting point
- 55 °C
- 2.1 Boiling point
- 281.8°Cat760mmHg
- 2.1 Refractive index
- 1.557
- 2.1 Flash Point
- 124.2°C
- 2.1 Precise Quality
- 228.01500
- 2.1 PSA
- 20.23
- 2.1 logP
- 3.58650
- 2.1 pKa
- 10.04±0.23(Predicted)
- 2.2 StorageTemp
- Sealed in dry,2-8°C
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. Synthesis Route
15062-34-7Total: 4 Synthesis Route
6. Computational chemical data
- Molecular Weight: 229.117g/mol
- Molecular Formula: C10H13BrO
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 228.01498
- Monoisotopic Mass: 228.01498
- Complexity: 147
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 20.2
- Heavy Atom Count: 12
- 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: AAADccBwIAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgBACAABrQSAmAAyBoAAAgCAAiBCAAACAAAgIAQAiAAGCKgIJiKCERKAcAAkwBEImheAwPAOwBABEAAIgACAIAIgABEAAAAAAAAAAA==
7. Recommended Suppliers
-
- Products:3-Fluoro-isonicotinic acid,Osmium tetroxide,Mafenide Hcl,3-Bromopentane,2-Phenylacetoacetonitrile,OSMIUM
- Tel:86-755-33239182
-
8. Realated Product Infomation
skype
