Basic information
- CAS
2617-47-2- Standard SMILES
O=P(O)(O)CO- InChIKey
GTTBQSNGUYHPNK-UHFFFAOYSA-N- Molecular formula
- CH5O4P
- Average molar mass
- 112.02 g/mol
- Monoisotopic mass
- 111.99254563
Overview
Hydroxymethylphosphonic acid is a phosphonic acid having a hydroxymethyl group attached to the phosphorus. It has a role as an EC 3.11.1.3 (phosphonopyruvate hydrolase) inhibitor. It is a member of phosphonic acids and a one-carbon compound. It is functionally related to a phosphonic acid. It is a conjugate acid of a hydroxymethylphosphonate(1-).
Names & identifiers
- Preferred name
- (Hydroxymethyl)phosphonic acid
- IUPAC
- hydroxymethylphosphonic acid
- English name
- PhosphonoMethanol
- Molecular formula
- CH5O4P
- Molecular weight
- 112.02
Names & synonyms
(Hydroxymethyl)phosphonic acid2617-47-2Hydroxymethylphosphonic acidPhosphonomethanolHydroxymethanephosphonic acidMethanehydroxyphosphonic acid(Hydroxymethyl)phosphonatePhosphonic acid, P-(hydroxymethyl)-Phosphonic acid, (hydroxymethyl)-P-(hydroxymethyl)phosphonic acidDO34G523HFEINECS 220-047-2
Show more names
methylolphosphonic acidHDROXYMETHYL PHOSPHONIC ACIDPhosphonic acid,P-(hydroxymethyl)-Hydroxymethylphosphonic acid, 98 %CA14233050 HydroxymethyLphosphoniCacidHydroxymethyl phosphonic acid in Acetonitrile
NSC 41905NSC 63035NSC-41905NSC-63035CHEBI:5810DTXSID5062554PHOSPHONIC ACID, P-(HYDROXYMETHYL)RefChem:406519
Database identifiers
- CAS
2617-47-2- PubChem CID
- 75795
- DTXSID
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 71.6
Physicochemical properties
- Melting point
- 95 · 95-97℃
- Boiling point
- 79 · 79-81 °C(Press: 10 Torr)
- Density
- 1.45 · 1.45
- refractive index
- 1.497 · 1.4970
- solubility
- Methanol (Slightly), Water (Sparingly)
- pka
- 2.58 · 2.58±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 34 G523HF · DO34G523HF
- EPA Substance Registry System
- Phosphonic acid, (hydroxymethyl)- (2617-47-2)
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 317 · H317-H350-H314
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: (hydroxymethyl)phosphonic acid (EC: 220-047-2)
Phosphonic acid, (hydroxymethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesMet. Corr. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07,GHS05
- Hazard statements
- H317-H350-H314
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphonic acid, P-(hydroxymethyl)-: ACTIVE
Applications
UsesPhosphonomethanol has been used in the investigation on the stereochemistry of 2-Hydroxyethylphosphonate Dioxygenase.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers28 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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