Introduction：Basic information about CAS 20035-41-0|NSC95682, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | NSC95682 |
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| CAS Number | 20035-41-0 | Molecular Weight | 231.04300 |
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| Density | 1.653g/cm3 | Boiling Point | 282.1ºC at 760mmHg |
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| Molecular Formula | C8H7BrO3 | Melting Point | 102-105 °C(lit.) |
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| MSDS | USA | Flash Point | 124.4ºC |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 6-bromo-2-hydroxy-3-methoxybenzaldehyde |
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| Synonym | More Synonyms |
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NSC95682 BiologicalActivity
| 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. |
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| Related Catalog | Signaling Pathways >>Cell Cycle/DNA Damage >>IRE1Research Areas >>Cancer |
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| Target | IC50: 0.08 μM (IRE-1α)[1] |
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| References | [1]. John Bruce Patterson, et al. Ire-1a inhibitors. WO 2008154484 A1 |
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Chemical & Physical Properties
| Density | 1.653g/cm3 |
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| Boiling Point | 282.1ºC at 760mmHg |
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| Melting Point | 102-105 °C(lit.) |
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| Molecular Formula | C8H7BrO3 |
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| Molecular Weight | 231.04300 |
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| Flash Point | 124.4ºC |
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| Exact Mass | 229.95800 |
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| PSA | 46.53000 |
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| LogP | 1.97580 |
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| Vapour Pressure | 0.00201mmHg at 25°C |
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| Index of Refraction | 1.622 |
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| InChIKey | JUPJZUTYDWXZAQ-UHFFFAOYSA-N |
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| SMILES | COc1ccc(Br)c(C=O)c1O |
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| HS Code | 2913000090 |
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Customs
| HS Code | 2913000090 |
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| Summary | HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0% |
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Synonyms
| 6-bromo-2-hydroxy-3-methoxy-benzaldehyde |
| 6-bromo-3-methoxysalicylaldehyde |
| 6-bromo-2-hydroxy-3methoxy-benzyldehyde |
| 2-bromo-5-methoxy-6-hydroxybenzaldehyde |
| MFCD00046152 |
| 2-Hydroxy-3-methoxy-6bromo-benzaldehyde |
| 6-BroMo-2-hydroxy-3-Methoxybenzaldehyde |
| NSC95682 |
