Phosphonic acid

HCID 407CAS 13598-36-2
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[PH](O)O
InChIKey
ABLZXFCXXLZCGV-UHFFFAOYSA-N
Molecular formula
H3O3P
Average molar mass
81.996 g/mol
Monoisotopic mass
81.98198095

Names & identifiers

Preferred name
Phosphonic acid
IUPAC
phosphonic acid
English name
Phosphorous acid
Molecular formula
H3O3P
Molecular weight
82

Names & synonyms

RefChem:6132DTXCID6029674237-066-713598-36-2CHEBI:44976DTXSID2049715Phosphonic acidPhosphorus trihydroxidePhosphorous acidPHOSPHORUS ACIDPhosphorous acid 99%Phosphonsure
Show more names
Phospohorous acidPhosphorous Acid CrystalPhosphorous acid, extra pure, 98%Phosphorous acid, 98%, extra pureH3PO3

Database identifiers

CAS
13598-36-2
PubChem CID
407
DTXSID
DTXSID2049715
ChEMBL
CHEMBL1235291
EC Number
237-066-7

Properties

Computed structural properties

XLogP
-1.6
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
4

Experimental & physicochemical properties

Physical DescriptionDry Powder; Liquid; Liquid; Large Crystals; CBI; Dry Powder

Physicochemical properties

Melting point
73 °C · 73 °C
Boiling point
200 °C · 200 °C
Density
1.651 g/mL · 1.651 g/mL at 25 °C(lit.)
vapor pressure
0.001 Pa · 0.001Pa at 20℃
Flash point
200 °C · 200°C
storage temp.
0 · 0-6°C

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.1% (2 of 1718) of reports.

Hazard information

Regulatory Information · 6 items

Chemical: Phosphonic acid

Commission Regulation No 844/2012

Phosphonic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 16-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15806

Ortho phosphorous acid: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Phosphonic acid: Human health tier II assessment；IMAP assessments - Phosphonic acid: Environment tier I assessment
EPA Safer Chemical · 1 item

Chemical: Phosphonic acid； Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues. Specifically, a chemical with this code is not associated with a low level of hazard concern for all human health and environmental endpoints. (See Safer Choice Criteria). While it is a best-in-class chemical and among the safest available for a particular function, the function fulfilled by the chemical should be considered an area for safer chemistry innovation.

Hazard Classes and Categories · 5 items

Met. Corr. 1 (22.3%)；Acute Tox. 4 (98.6%)；Skin Corr. 1 (99.9%)；Eye Dam. 1 (47.1%)；STOT SE 3 (26%)

Acute toxicity - category 4；Skin corrosion - category 1A

Self-reactive substances and mixtures - Type G；Acute toxicity (Oral) - Category 4；Skin corrosion/irritation - Category 1；Serious eye damage/eye irritation - Category 1

Corrosives

Acute Tox. 4 *；Skin Corr. 1A

Safety & protection

Protective Action Criteria (PAC) · 3 items

5.7 [mg/m3]

63 [mg/m3]

380 [mg/m3]

Regulatory information

Regulatory Information · 6 items

Chemical: Phosphonic acid

Commission Regulation No 844/2012

Phosphonic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 16-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15806

Ortho phosphorous acid: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Safety data

F
3
wgk
1
tsca
TSCA listed
rtecs
SZ6400000
ridadr
UN 2834
hs_code
28092019

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 10,000,000 - <25,000,000 lb；2022: 10,000,000 - <25,000,000 lb；2021: 25,000,000 - <40,000,000 lb；2020: 10,000,000 - <25,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable；Soil amendments (fertilizers)；Intermediate
Industry Uses · 1 item

CBI；Processing aids not otherwise specified；Reducing agent；Soil amendments (fertilizers)；Not Known or Reasonably Ascertainable；Corrosion inhibitor；Flocculating agent；Intermediate；Anti-scaling agent；Processing aids, specific to petroleum production

Household ProductsInformation on 6 consumer products that contain Phosphorus acid in the following categories is provided:；• Auto Products；• Inside the Home；• Landscaping/Yard；• Personal Care
Use Classification · 2 items

EPA Safer Chemical Functional Use Classes -> Oxidants and Oxidant Stabilizers

Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues

General Manufacturing Information · 2 items

All Other Basic Organic Chemical Manufacturing；Miscellaneous Manufacturing；Paper Manufacturing；Not Known or Reasonably Ascertainable；All Other Chemical Product and Preparation Manufacturing；Agriculture, Forestry, Fishing and Hunting；Soap, Cleaning Compound, and Toilet Preparation Manufacturing；Oil and Gas Drilling, Extraction, and Support activities；Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing；CBI；Mining (except Oil and Gas) and support activities

Phosphonic acid: ACTIVE

Applications · 4 items

DescriptionPhosphorous acid is an intermediate in the preparation of other phosphorous compounds. It is a raw material to prepare phosphonates for water treatment such as iron and manganese control, scale inhibition and removal, corrosion control and chlorine stabilization. The alkali metal salts (phosphites) of phosphorous acid are being widely marketed either as an agricultural fungicide (e.g. Downy Mildew) or as a superior source of plant phosphorous nutrition. Phosphorous acid is used in stabilizing mixtures for plastic materials. Phosphorous acid is used for inhibiting high-temperature of corrosion-prone metal surfaces and to produce lubricants and lubricant additives.

DescriptionPhosphorous acid, H3PO3, is diprotic (readily ionizes two protons), not triprotic as might be suggested by this formula. Phosphorous acid is as an intermediate in the preparation of other phosphorous compounds. Because preparation and uses of “phosphorous acid” actually pertain more to the major tautomer, phosphonic acid, it is more often referred to as “phosphorous acid”. Phosphorous acid has the chemical formula H3PO3, which is best expressed as HPO(OH)2 to show its diprotic character. P(OH)3 (IUPAC: phosphorous acid) has CAS number 10294-56-1. It has been shown to be a stable tautomer.

UsesPhosphorous acid is used to produce the fertilizer phosphate salt like potassium phosphite, ammonium phosphite and calcium phosphite. It is actively involved in the preparation of phosphites like aminotris(methylenephosphonic acid) (ATMP), 1-hydroxyethane 1,1-diphosphonic acid (HEDP) and 2-phosphonobutane-1,2,4-tricarboxylic Acid (PBTC), which find application in water treatment as a scale or corrosive inhibitor. It is also used in chemical reactions as a reducing agent. Its salt, lead phosphite is used as PVC stabilizer. It is also used as a precursor in the preparation of phosphine and as an intermediate in the preparation of other phosphorus compounds.

General DescriptionPhosphorous acid appears as a white or yellow crystalline solid (melting point 70.1°C) or a solution of the solid. Density 1.651 g /cm3 . Contact may severely irritate skin, eyes, and mucous membranes. Toxic by ingestion, inhalation and skin absorption.

Preparation methods · 1 item

PreparationPhosphorus acid can be prepared by the reaction of phosphorus trichloride with water: PCl3 + 3H2O → H3PO4 + 3HClThe reaction is violent. Addition of PCl3 should be extremely cautious and slow. The addition can be carried out safely in the presence of concentrated HCl. Alternatively, a stream of air containing PCl3 vapor is passed into icecold water and solid crystals of H3PO4 form. Alternatively, phosphorus acid can be prepared by adding phosphorus trichloride to anhydrous oxalic acid: PCl3 + 3(COOH）2 → H3PO3 + 3CO + 3CO2 + 3HCl In this reaction, all products except H3PO3 escape as gases leaving the liquid acid. Dissolution of phosphorus sesquioxide in water also forms phosphorus acid. When shaken with ice water, phosphorus acid is the only product . P4O6 + 6H2O → 4H3PO3 However, in hot water part of the phosphorus acid disproportionates to phosphoric acid and phosphorus or phosphine.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]

Additional notes

DefinitionChEBI: Phosphorous acid is a phosphorus oxoacid. It is a conjugate acid of a dihydrogenphosphite. It is a tautomer of a phosphonic acid.

Related reactions

45 records
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Linked notes

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