2-Bromo-4-pyridinecarboxaldehyde - CAS 118289-17-1
Catalog: |
BB004073 |
Product Name: |
2-Bromo-4-pyridinecarboxaldehyde |
CAS: |
118289-17-1 |
Synonyms: |
2-bromopyridine-4-carbaldehyde |
IUPAC Name: | 2-bromopyridine-4-carbaldehyde |
Description: | 2-Bromo-4-pyridinecarboxaldehyde (CAS# 118289-17-1) is a useful research chemical. |
Molecular Weight: | 186.01 |
Molecular Formula: | C6H4BrNO |
Canonical SMILES: | C1=CN=C(C=C1C=O)Br |
InChI: | InChI=1S/C6H4BrNO/c7-6-3-5(4-9)1-2-8-6/h1-4H |
InChI Key: | RTWLIQFKXMWEJY-UHFFFAOYSA-N |
Boiling Point: | 272.9 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.683 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD04039311 |
LogP: | 1.65660 |
GHS Hazard Statement: | H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021198283-A1 | Inhibitors of antigen presentation by hla-dr | 20200331 |
WO-2021195066-A2 | Kcnt1 inhibitors and methods of use | 20200323 |
WO-2021142247-A1 | Smarca2-vhl degraders | 20200110 |
CN-110669000-A | Preparation method of 2-bromo-4-pyridylaldehyde | 20191127 |
WO-2021088885-A1 | Compound targeting type i prmt, preparation method therefor, and application thereof | 20191107 |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.94763 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.94763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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