3-(4-Chlorophenyl)acrylaldehyde - CAS 1075-77-0
Catalog: |
BB002106 |
Product Name: |
3-(4-Chlorophenyl)acrylaldehyde |
CAS: |
1075-77-0 |
Synonyms: |
(E)-3-(4-chlorophenyl)-2-propenal; (E)-3-(4-chlorophenyl)prop-2-enal |
IUPAC Name: | (E)-3-(4-chlorophenyl)prop-2-enal |
Description: | 3-(4-Chlorophenyl)acrylaldehyde (CAS# 1075-77-0 ) is a useful research chemical. |
Molecular Weight: | 166.60 |
Molecular Formula: | C9H7ClO |
Canonical SMILES: | C1=CC(=CC=C1C=CC=O)Cl |
InChI: | InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+ |
InChI Key: | HONRSHHPFBMLBT-OWOJBTEDSA-N |
Boiling Point: | 290.4 °C at 760 mmHg |
Density: | 1.192 g/cm3 |
LogP: | 2.55210 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111840261-A | Deacetylase agonist and application thereof | 20200622 |
US-2021171436-A1 | Highly enantioselective access to cyclic beta-amino acids | 20191204 |
WO-2021058251-A1 | Corrosion inhibitors for acidic subterranean treatment fluids | 20190923 |
WO-2021045879-A1 | Synthesis of deuterated aldehydes | 20190903 |
CN-110467532-B | Synthetic method of aryl cyclopropylamine compound | 20190828 |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 166.0185425 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0185425 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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