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4-Nitrophenyl Phosphorodichloridate

CAT: 0572-TRC-N504535-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N504535-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
777-52-6
Synonyms
Phosphorodichloridic Acid 4-Nitrophenyl Ester; p-Nitrophenol Phosphorodichloridate; 4-Nitrophenyl Dichlorophosphate; 4-Nitrophenyl Phosphoryl Dichloride; Dichloro(p-nitrophenoxy)phosphine Oxide; O-(4-Nitrophenyl) Phosphorodichloridate; Phosphorodichloridic Acid p-Nitrophenyl Ester; p-Nitrophenyl Dichlorophosphate; p-Nitrophenyl Phosphorodichloridate
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[O-][N+](=O)c1ccc(OP(=O)(Cl)Cl)cc1
Molecular Formula
C6H4Cl2NO4P
Molecular Weight
255.98
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Phosphorodichloridic acid, 4-nitrophenyl ester
CAS Number777-52-6
PubChem CID69898
IUPAC Name1-dichlorophosphoryloxy-4-nitrobenzene
Molecular FormulaC6H4Cl2NO4P
Molecular Weight255.98
XLogP2.8
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity255
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(Cl)Cl
InChI
InChI=1S/C6H4Cl2NO4P/c7-14(8,12)13-6-3-1-5(2-4-6)9(10)11/h1-4H
InChIKey
NCPBESHYZRJICR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phosphorodichloridic acid, 4-nitrophenyl ester
CAS: 777-52-6
CID: 69898
Formula: C6H4Cl2NO4P
MW: 255.98
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.98
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass254.9255000
Monoisotopic Mass254.9255000
Topological Polar Surface Area72.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity255
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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