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262099

Sigma-Aldrich

Phosphorus(V) oxychloride

99.999%

Synonym(s):

Phosphorus(V) oxide chloride, Phosphoryl chloride

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About This Item

Linear Formula:
POCl3
CAS Number:
10025-87-3
Molecular Weight:
153.33
EC Number:
233-046-7
MDL number:
MFCD00011443
UNSPSC Code:
12352101
PubChem Substance ID:
24855857
NACRES:
NA.22
Assay:
99.999%
bp:
105.8 °C (lit.)
vapor pressure:
104 mmHg ( 50 °C)
28 mmHg ( 20 °C)

vapor density

5.3 (vs air)

Quality Level

200

vapor pressure

104 mmHg ( 50 °C)
28 mmHg ( 20 °C)

Assay

99.999%

form

liquid

pH

1 (20 °C)

bp

105.8 °C (lit.)

mp

1.25 °C (lit.)

density

1.645 g/mL at 25 °C (lit.)

functional group

phosphine oxide

SMILES string

ClP(Cl)(Cl)=O

InChI

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

InChI key

XHXFXVLFKHQFAL-UHFFFAOYSA-N

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Application

Phosphorus(V) oxychloride can be used as:
  • A dehydrating agent in organic synthesis.
  • A reagent in the cyclization of substituted aryl amides by Bischler−Napieralski cyclization reaction.
  • A precursor for phosphorus diffusion in the p-type silicon solar cells processing.

It can also be used in the Vilsmeier-Haack reaction to synthesize aromatic aldehydes.

accessory

Product No.
Description
Pricing

Signal Word

Danger

Hazard Statements

H302,H314,H330,H372

Hazard Classifications

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

Target Organs

Respiratory Tract

Supplementary Hazards

EUH014,EUH029

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Poisonous substance

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

262099-10G:4548173126449
262099-VAR:
262099-50G:4548173126456
262099-100G:4548173126432
262099-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCK2068
MKCK2067
MKCH7454
MKBZ2141V
MKBX8047V

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Patil P, et al.
Green Chemistry, 22(20), 6902-6911 (2020)
Optimization of phosphorus emitter formation from POCl 3 diffusion for p-type silicon solar cells processing
Ghembaza H, et al.
Silicon, 10(2), 377-386 (2018)
Patrick J O'Brien et al.
Biochemistry, 41(9), 3207-3225 (2002-02-28)
Escherichia coli alkaline phosphatase (AP) is the prototypical two metal ion catalyst with two divalent zinc ions bound approximately 4 A apart in the active site. Studies spanning half a century have elucidated many structural and mechanistic features of this
Gül Altınbaş Ozpınar et al.
Journal of molecular modeling, 17(12), 3209-3217 (2011-03-03)
Because of discrepancies in the available experimental data, an extensive theoretical investigation of the formation of the Vilsmeier-Haack (VH) complex has been carried out. The barriers to complex formation calculated using eight different density functional methods (BLYP, B2-PLYP, B3LYP, B3PW91
Eric S Melby et al.
PloS one, 6(4), e18420-e18420 (2011-04-13)
Phosphorus (P) has only one stable isotope and therefore tracking P dynamics in ecosystems and inferring sources of P loading to water bodies have been difficult. Researchers have recently employed the natural abundance of the ratio of (18)O/(16)O of phosphate
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