
CAS Number2491-38-5
Synonyms4-(Bromoacetyl)phenol; 4-Hydroxyphenacyl Bromide; Butrol 1130; p-Hydroxyphenacyl BroMide; 2-Bromo-1-(4-hydroxyphenyl)ethanone; BHAP; MFCD00072424; 4-HYDROXYPHENACYL BR; 2-Bromo-1-(4-hydroxyphenyl)ethanone p-Hydroxyphenacyl bromide; BUSAN1130; BUSAN90; 1-(4-hydroxyphenyl)-2-bromoethanone; EINECS 219-655-0
Molecular FormulaC8H7BrO2
Molecular Weight215.04
Purity98.00%
Density1.6±0.1 g/cm3
Boiling Point338.7±17.0 °C at 760 mmHg
Melting Point123-126°C
Appearancesolid
EINECS219-655-0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2491-38-5 |
| Catalog No. | 2A-9028636 |
| Chinese Name | α-溴代对羟基苯乙酮 |
| Synonyms | 4-(Bromoacetyl)phenol; 4-Hydroxyphenacyl Bromide; Butrol 1130; p-Hydroxyphenacyl BroMide; 2-Bromo-1-(4-hydroxyphenyl)ethanone; BHAP; MFCD00072424; 4-HYDROXYPHENACYL BR; 2-Bromo-1-(4-hydroxyphenyl)ethanone p-Hydroxyphenacyl bromide; BUSAN1130; BUSAN90; 1-(4-hydroxyphenyl)-2-bromoethanone; EINECS 219-655-0 |
| Molecular Formula | C8H7BrO2 |
| Molecular Weight | 215.04 |
| Purity | 98.00 |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 338.7±17.0 °C at 760 mmHg |
| Melting Point | 123-126°C |
| Appearance | solid |
| Storage Condition | -70°C |
| Packaging | III |
| Application | 2-Bromo-4'-hydroxyacetophenone is a potent inhibitor of PTP1B with a Ki value of 42 μM. |
| EINECS | 219-655-0 |
| HTC | 2914700090 |
| PubChem ID | 329788325 |
| MDL Number | MFCD00072424 |
| SMILES | BrCC(C1=CC=C(O)C=C1)=O |
| InChI | 1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2 |
| InChI Key | LJYOFQHKEWTQRH-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| Hazard Symbols | transportation |
| MSDS | msds/28636_1_2491_38_5.pdf |
| Bioactivity | 2-Bromo-4'-hydroxyacetophenone a PTP1B inhibitor, with a Ki of 42 μM[1]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphatase Research Areas >> Others Target Ki: 42 μM (PTP1B)[1]. References [1]. Sidhu, Alban, et al. Toward Inhibitors of Protein Tyrosine Phosphatases for Cancer Treatment. Home / Current Enzyme Inhibition, Volume 4, Number 1. Chemical & Physical Properties Density 1.6±0.1 g/cm3 Boiling Point 338.7±17.0 °C at 760 mmHg Melting Point 123-126°C Molecular Formula C8H7BrO2 Molecular Weight 215.044 Flash Point 158.6±20.9 °C Exact Mass 213.962936 PSA 37.30000 LogP 1.95 Vapour Pressure 0.0±0.8 mmHg at 25°C Index of Refraction 1.609 InChIKey LJYOFQHKEWTQRH-UHFFFAOYSA-N SMILES O=C(CBr)c1ccc(O)cc1 Storage condition -70°C |
| Use of | 2-Bromo-4'-hydroxyacetophenone a PTP1B inhibitor, with a Ki of 42 μM[1]. Properties Name 2-Bromo-4'-hydroxyacetophenone Synonym More Synonyms 2-Bromo-4'-hydroxyacetophenone Biological Activity Description 2-Bromo-4'-hydroxyacetophenone a PTP1B inhibitor, with a Ki of 42 μM[1]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphatase Research Areas >> Others Ki: 42 μM (PTP1B)[1]. References [1]. Sidhu, Alban, et al. Toward Inhibitors of Protein Tyrosine Phosphatases for Cancer Treatment. Home / Current Enzyme Inhibition, Volume 4, Number 1. Chemical & Physical Properties Molecular Formula C8H7BrO2 Exact Mass 213.962936 PSA 37.30000 Index of Refraction 1.609 InChIKey LJYOFQHKEWTQRH-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 5.5% Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 United Nations number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special precautions No data available |
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