Methyl 4-bromo-3-fluorobenzoate - CAS 849758-12-9
Catalog: |
BB037386 |
Product Name: |
Methyl 4-bromo-3-fluorobenzoate |
CAS: |
849758-12-9 |
Synonyms: |
4-bromo-3-fluorobenzoic acid methyl ester; methyl 4-bromo-3-fluorobenzoate |
IUPAC Name: | methyl 4-bromo-3-fluorobenzoate |
Description: | Methyl 4-bromo-3-fluorobenzoate (CAS# 849758-12-9) is a useful research chemical. |
Molecular Weight: | 233.03 |
Molecular Formula: | C8H6BrFO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)Br)F |
InChI: | InChI=1S/C8H6BrFO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3 |
InChI Key: | WDAFDKXHLVMFKA-UHFFFAOYSA-N |
Boiling Point: | 270.079 °C at 760 mmHg |
Melting Point: | 64-66 °C |
Purity: | 98 % |
Density: | 1.578 g/cm3 |
Storage: | Keep Cold |
MDL: | MFCD08436044 |
LogP: | 2.37480 |
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-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
WO-2021108483-A1 | Therapeutic compounds | 20191127 |
TW-202045491-A | Azole derivatives | 20190220 |
WO-2020171146-A1 | Azole derivative | 20190220 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.95352 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.95352 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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