2-Chlorophenyl N-phenylchlorophosphoramidate - CAS 69320-80-5
Catalog: |
BB033770 |
Product Name: |
2-Chlorophenyl N-phenylchlorophosphoramidate |
CAS: |
69320-80-5 |
Synonyms: |
N-[chloro-(2-chlorophenoxy)phosphoryl]aniline |
IUPAC Name: | N-[chloro-(2-chlorophenoxy)phosphoryl]aniline |
Description: | 2-Chlorophenyl N-phenylchlorophosphoramidate (CAS# 69320-80-5) is a reagent used in the phosphorylation of adenosine derivatives. |
Molecular Weight: | 302.09 |
Molecular Formula: | C12H10Cl2NO2P |
Canonical SMILES: | C1=CC=C(C=C1)NP(=O)(OC2=CC=CC=C2Cl)Cl |
InChI: | InChI=1S/C12H10Cl2NO2P/c13-11-8-4-5-9-12(11)17-18(14,16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16) |
InChI Key: | QJRUVOYDQLDFOE-UHFFFAOYSA-N |
Boiling Point: | 395.9 °C at 760 mmHg |
Density: | 1.45 g/cm3 |
LogP: | 5.25080 |
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: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.9826209 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.9826209 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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