2-Chloro-3,6-difluorobenzaldehyde - CAS 261762-39-4
Catalog: |
BB019167 |
Product Name: |
2-Chloro-3,6-difluorobenzaldehyde |
CAS: |
261762-39-4 |
Synonyms: |
2-chloro-3,6-difluorobenzaldehyde |
IUPAC Name: | 2-chloro-3,6-difluorobenzaldehyde |
Description: | 2-Chloro-3,6-difluorobenzaldehyde (CAS# 261762-39-4) is a useful research chemical. |
Molecular Weight: | 176.55 |
Molecular Formula: | C7H3ClF2O |
Canonical SMILES: | C1=CC(=C(C(=C1F)C=O)Cl)F |
InChI: | InChI=1S/C7H3ClF2O/c8-7-4(3-11)5(9)1-2-6(7)10/h1-3H |
InChI Key: | KPYBGKSDBNMHTO-UHFFFAOYSA-N |
Boiling Point: | 206.4 °C at 760 mmHg |
Melting Point: | 46-50 °C |
Purity: | 95 % |
Density: | 1.453 g/cm3 |
Appearance: | White to yellow solid, powder or crystals |
MDL: | MFCD01631443 |
LogP: | 2.43070 |
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 |
WO-2019219820-A1 | Substituted condensed thiophenes as modulators of sting | 20180516 |
AU-2019270394-A1 | Substituted condensed thiophenes as modulators of sting | 20180516 |
CN-112424181-A | Substituted condensed thiophenes as STING modulators | 20180516 |
EP-3793988-A1 | Substituted condensed thiophenes as modulators of sting | 20180516 |
US-2021214333-A1 | Substituted condensed thiophenes as modulators of sting | 20180516 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.9840487 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.9840487 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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