CAS Number20035-41-0
Synonyms6-bromo-2-hydroxy-3-methoxy-benzaldehyde; 6-bromo-3-methoxysalicylaldehyde; 2-bromo-5-methoxy-6-hydroxybenzaldehyde; MFCD00046152; 2-Hydroxy-3-methoxy-6bromo-benzaldehyde; 6-BroMo-2-hydroxy-3-Methoxybenzaldehyde; NSC95682
Molecular FormulaBrC6H2(OH)(OCH3)CHO
Molecular Weight231.04
Purity97%
Density1.653g/cm3
Boiling Point282.1ºC at 760mmHg
Melting Point202-207 °C (lit.)
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 20035-41-0 |
| Catalog No. | 2A-9082733 |
| Chinese Name | 6-溴-2-羟基-3-甲氧基苯甲醛 |
| Synonyms | 6-bromo-2-hydroxy-3-methoxy-benzaldehyde; 6-bromo-3-methoxysalicylaldehyde; 2-bromo-5-methoxy-6-hydroxybenzaldehyde; MFCD00046152; 2-Hydroxy-3-methoxy-6bromo-benzaldehyde; 6-BroMo-2-hydroxy-3-Methoxybenzaldehyde; NSC95682 |
| Molecular Formula | BrC6H2(OH)(OCH3)CHO |
| Molecular Weight | 231.04 |
| Purity | 97 |
| Density | 1.653g/cm3 |
| Boiling Point | 282.1ºC at 760mmHg |
| Melting Point | 202-207 °C (lit.) |
| Storage Condition | room temperature, dry |
| Application | NSC95682 is an IRE-1α inhibitor with an IC50 value of 0.08 μM, derived from patent WO 2008154484 A1, example IRE-1α inhibitor compound 3-5. |
| HTC | 2913000090 |
| PubChem ID | 24871450 |
| MDL Number | MFCD02380230 |
| SMILES | COc1ccc(C=O)c(Br)c1O |
| InChI | 1S/C8H7BrO3/c1-12-6-3-2-5(4-10)7(9)8(6)11/h2-4,11H,1H3 |
| InChI Key | QPDFBPIHEDAUKK-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/82733_1_20035_41_0.pdf |
| Bioactivity | NSC95682 is an IRE-1α inhibitor with an IC50 of 0.08 μM, extracted from patent WO 2008154484 A1, IRE-lα inhibitor compound 3-5. Related Catalog Signaling Pathways >> Cell Cycle/DNA Damage >> IRE1 Research Areas >> Cancer Target IC50: 0.08 μM (IRE-1α)[1] References [1]. John Bruce Patterson, et al. Ire-1a inhibitors. WO 2008154484 A1 Chemical & Physical Properties Density 1.653g/cm3 Boiling Point 282.1ºC at 760mmHg Melting Point 102-105 °C(lit.) Molecular Formula C8H7BrO3 Molecular Weight 231.04300 Flash Point 124.4ºC Exact Mass 229.95800 PSA 46.53000 LogP 1.97580 Vapour Pressure 0.00201mmHg at 25°C Index of Refraction 1.622 InChIKey JUPJZUTYDWXZAQ-UHFFFAOYSA-N SMILES COc1ccc(Br)c(C=O)c1O |
| Use of | NSC95682 is an IRE-1α inhibitor with an IC50 of 0.08 μM, extracted from patent WO 2008154484 A1, IRE-lα inhibitor compound 3-5. Properties Name 6-bromo-2-hydroxy-3-methoxybenzaldehyde Synonym More Synonyms NSC95682 Biological Activity Description NSC95682 is an IRE-1α inhibitor with an IC50 of 0.08 μM, extracted from patent WO 2008154484 A1, IRE-lα inhibitor compound 3-5. Related Catalog Signaling Pathways >> Cell Cycle/DNA Damage >> IRE1 Research Areas >> Cancer IC50: 0.08 μM (IRE-1α)[1] References [1]. John Bruce Patterson, et al. Ire-1a inhibitors. WO 2008154484 A1 Chemical & Physical Properties Molecular Formula C8H7BrO3 Exact Mass 229.95800 PSA 46.53000 LogP 1.97580 Index of Refraction 1.622 InChIKey JUPJZUTYDWXZAQ-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 UN dangerous goods 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 reminder to users No data available |
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