Ethyl 5-bromonicotinate - CAS 20986-40-7
Catalog: |
BB016515 |
Product Name: |
Ethyl 5-bromonicotinate |
CAS: |
20986-40-7 |
Synonyms: |
5-bromo-3-pyridinecarboxylic acid ethyl ester; ethyl 5-bromopyridine-3-carboxylate |
IUPAC Name: | ethyl 5-bromopyridine-3-carboxylate |
Description: | Ethyl 5-bromonicotinate (CAS# 20986-40-7) is a useful research chemical. |
Molecular Weight: | 230.06 |
Molecular Formula: | C8H8BrNO2 |
Canonical SMILES: | CCOC(=O)C1=CC(=CN=C1)Br |
InChI: | InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3 |
InChI Key: | PCPIANOJERKFJI-UHFFFAOYSA-N |
Boiling Point: | 258.8 ℃ at 760 mmHg |
Melting Point: | 39-42 ℃ |
Purity: | 98 % |
Density: | 1.501 g/cm3 |
Appearance: | White crystal powder |
MDL: | MFCD00040366 |
LogP: | 2.02080 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20190119553-A | Compounds for remediating the contaminated soil or water | 20191004 |
KR-102077430-B1 | Filter material for removing heavy metals and formaldehyde | 20190904 |
KR-20190104507-A | Filter material for removing heavy metals and formaldehyde | 20190904 |
WO-2021026803-A1 | Piperidinyl-methyl-purineamines as nsd2 inhibitors and anti-cancer agents | 20190814 |
WO-2021028854-A1 | Piperidinyl-methyl-purineamines as nsd2 inhibitors and anti-cancer agents | 20190814 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.97384 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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