Benzyl 2-(Triphenylphosphoranylidene)acetate - CAS 15097-38-8
Catalog: |
BB010594 |
Product Name: |
Benzyl 2-(Triphenylphosphoranylidene)acetate |
CAS: |
15097-38-8 |
Synonyms: |
2-triphenylphosphoranylideneacetic acid (phenylmethyl) ester; benzyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate |
IUPAC Name: | benzyl 2-(triphenyl-λ5-phosphanylidene)acetate |
Description: | Benzyl 2-(Triphenylphosphoranylidene)acetate (CAS# 15097-38-8) is a useful research chemical. |
Molecular Weight: | 410.44 |
Molecular Formula: | C27H23O2P |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 |
InChI: | InChI=1S/C27H23O2P/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,22H,21H2 |
InChI Key: | INKMLGJBBDRIQR-UHFFFAOYSA-N |
Boiling Point: | 571.1 °C at 760 mmHg |
Density: | 1.19 g/cm3 |
MDL: | MFCD00191787 |
LogP: | 4.52610 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021124272-A1 | Cycloalkyl-containing carboxylic acids and uses thereof | 20191219 |
US-2021069288-A1 | Pcsk9 antagonist compounds | 20190830 |
WO-2021041770-A1 | Pcsk9 antagonist compounds | 20190830 |
JP-2020128368-A | Medicine containing an azole-substituted pyridine compound as an active ingredient | 20190208 |
WO-2020055672-A1 | Fused heterocyclic compounds as ret kinase inhibitors | 20180910 |
Complexity: | 521 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 410.14356697 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 410.14356697 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.5 |
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