3-Chloro-2-oxopropylidene triphenylphosphorane - CAS 13605-66-8
Catalog: |
BB043392 |
Product Name: |
3-Chloro-2-oxopropylidene triphenylphosphorane |
CAS: |
13605-66-8 |
Synonyms: |
3-CHLORO-2-OXOPROPYLIDENE TRIPHENYLPHOSPHORANE; 3-Chloro-2-oxopropylidene triphenylphosphorane, 98 % |
IUPAC Name: | 1-chloro-3-(triphenyl-λ5-phosphanylidene)propan-2-one |
Description: | 3-Chloro-2-oxopropylidene triphenylphosphorane (CAS# 13605-66-8 ) is a useful research chemical. |
Molecular Weight: | 352.79 |
Molecular Formula: | C21H18ClOP |
Canonical SMILES: | C1=CC=C(C=C1)P(=CC(=O)CCl)(C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C21H18ClOP/c22-16-18(23)17-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17H,16H2 |
InChI Key: | NYAMPFDYTBDISG-UHFFFAOYSA-N |
Boiling Point: | 503.5 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.21 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 402 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 352.0783799 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 352.0783799 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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