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Merck
CN

79582

Phosphorus(V) oxychloride

puriss. p.a., ≥99.0% (AT)

Synonym(s):

Phosphorus(V) oxide chloride, Phosphoryl chloride

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About This Item

Linear Formula:
POCl3
CAS Number:
Molecular Weight:
153.33
UNSPSC Code:
12352101
PubChem Substance ID:
EC Number:
233-046-7
MDL number:
Assay:
≥99.0% (AT)
Form:
liquid
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vapor density

5.3 (vs air)

Quality Level

vapor pressure

104 mmHg ( 50 °C), 28 mmHg ( 20 °C)

grade

puriss. p.a.

assay

≥99.0% (AT)

form

liquid

reaction suitability

reagent type: oxidant

bp

105.8 °C (lit.)

mp

1.25 °C (lit.)

density

1.645 g/mL at 25 °C (lit.)

cation traces

Ca: ≤10 mg/kg, Cd: ≤5 mg/kg, Co: ≤5 mg/kg, Cr: ≤5 mg/kg, Cu: ≤5 mg/kg, Fe: ≤5 mg/kg, K: ≤50 mg/kg, Mg: ≤5 mg/kg, Mn: ≤5 mg/kg, Na: ≤50 mg/kg, Ni: ≤5 mg/kg, Pb: ≤5 mg/kg, Zn: ≤5 mg/kg

SMILES string

ClP(Cl)(Cl)=O

InChI

1S/Cl3OP/c1-5(2,3)4

InChI key

XHXFXVLFKHQFAL-UHFFFAOYSA-N

Application

Phosphorus(V) oxychloride is a chlorinating agent that reacts with dimethylformamide (DMF) to form Vilsmeier reagent used for Vilsmeier-Haack formylation of aromatic compounds.


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Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1A - STOT RE 1 Inhalation

target_organs

Respiratory Tract

supp_hazards

Storage Class

6.1B - Non-combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

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Nitrogen bridgehead compounds. Part 30. Vilsmeier?Haack formylation of 6, 7, 8, 9-tetrahydro-4 H-pyrido [1, 2-a] pyrimidin-4-ones.
Horvath A
Journal of the Chemical Society. Perkin Transactions 1, 369-377 (1983)
Vilsmeier Reagent: An Efficient Reagent for the Transformation of 2-Aminobenzamides into Quinazolin-4 (3 H)-one Derivatives.
Farzipour S, et al.
Synthetic Communications, 44(4), 481-487 (2014)
Vilsmeier-Haack formylation of 2-(1H-pyrazol-1-yl) ethanol and its methyl derivatives.
Rstakyan VI, et al.
Russ. J. Gen. Chem., 85(5), 1191-1193 (2015)



Global Trade Item Number

SKUGTIN
79582-25ML04061838129598