3-(4-Chlorophenyl)benzaldehyde - CAS 139502-80-0
Catalog: |
BB008953 |
Product Name: |
3-(4-Chlorophenyl)benzaldehyde |
CAS: |
139502-80-0 |
Synonyms: |
3-(4-chlorophenyl)benzaldehyde |
IUPAC Name: | 3-(4-chlorophenyl)benzaldehyde |
Description: | 3-(4-Chlorophenyl)benzaldehyde (CAS# 139502-80-0) is a useful research chemical. |
Molecular Weight: | 216.66 |
Molecular Formula: | C13H9ClO |
Canonical SMILES: | C1=CC(=CC(=C1)C=O)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C13H9ClO/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H |
InChI Key: | JIBHWLKAALCSRU-UHFFFAOYSA-N |
Boiling Point: | 358.9 °C at 760 mmHg |
Density: | 1.214 g/cm3 |
Appearance: | White to off-white powder, crystals or crystalline powder and/or chunks |
MDL: | MFCD03424622 |
LogP: | 3.81950 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3283622-A1 | Mutant transaminases as well as methods and uses relating thereto | 20150416 |
EP-3283622-B1 | Mutant transaminases as well as methods and uses relating thereto | 20150416 |
US-10017749-B2 | Mutant transaminases as well as methods and uses relating thereto | 20150416 |
US-2016304843-A1 | Mutant transaminases as well as methods and uses relating thereto | 20150416 |
WO-2016166120-A1 | Mutant transaminases as well as methods and uses relating thereto | 20150416 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.0341926 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.0341926 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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