3-Chloro-2-oxopropyl triphenylphosphonium chloride - CAS 13605-65-7
Catalog: |
BB043391 |
Product Name: |
3-Chloro-2-oxopropyl triphenylphosphonium chloride |
CAS: |
13605-65-7 |
Synonyms: |
Phosphonium, (3-chloro-2-oxopropyl)triphenyl-, chloride (1:1); (3-Chloroacetonyl)triphenylphosphonium chloride; Phosphonium, (3-chloro-2-oxopropyl)triphenyl-, monochloride; Phosphonium, (3-chloroacetonyl)triphenyl-, chloride |
Related CAS: | 62942-53-4 (free base)
|
IUPAC Name: | (3-chloro-2-oxopropyl)-triphenylphosphanium;chloride |
Molecular Weight: | 389.25 |
Molecular Formula: | C21H19Cl2OP |
Canonical SMILES: | C1=CC=C(C=C1)[P+](CC(=O)CCl)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
InChI: | InChI=1S/C21H19ClOP.ClH/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;/h1-15H,16-17H2;1H/q+1;/p-1 |
InChI Key: | HLQOHQLJKMAQPH-UHFFFAOYSA-M |
Melting Point: | 210-212°C (dec.) |
Purity: | ≥95% |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 388.0550576000001 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 388.0550576000001 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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