Basic information
- CAS
20120-33-6- Standard SMILES
COP(=O)(CCC(=O)NCO)OC- InChIKey
MCONGYNHPPCHSD-UHFFFAOYSA-N- Molecular formula
- C6H14NO5P
- Average molar mass
- 211.15 g/mol
- Monoisotopic mass
- 211.06095954
Names & identifiers
- Preferred name
- Dimethyl N-hydroxymethylcarbamoylethylphosphonate
- IUPAC
- 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide
- English name
- 3-(Dimethylphosphono)-N-methylolpropionamide
- Molecular formula
- C6H14NO5P
- Molecular weight
- 211.15
Names & synonyms
3-(Dimethylphosphono)-N-methylolpropionamideDimethyl (3-((hydroxymethyl)amino)-3-oxopropyl)phosphonateDTXSID9040215ODS75TAJ4VDimethyl phosphonomethylolpropionamideDimethyl N-hydroxymethylcarbamoylethylphosphonatePhosphonic acid, (3-((hydroxymethyl)amino)-3-oxopropyl)-, dimethyl esterDTXCID7020215Phosphonic acid, [3-[(hydroxymethyl)amino]-3-oxopropyl]-, dimethyl esterPhosphonic acid, P-(3-((hydroxymethyl)amino)-3-oxopropyl)-, dimethyl esterdimethyl {2-[(hydroxymethyl)carbamoyl]ethyl}phosphonateDimethyl N-methylolphosphonopropionamide
Show more names
PYROVATEX CP3-(Dimethylphosphono)-N-methylolpropionamide (~70%)FRC-2AFLAMMITKWBpyrovatex cfCP for cottonPyrovatex 3805COTTON FABRIC FLAME RETARDANT AGENTN-METHYLOLDIMETHYLPHOSPHONOPROPIONE
3-(DIMETHYLPHOSPHONO)PROPIONIC METHYLOLAMIDEN-METHYLOL-3-(DIMETHOXYPHOSPHONO)PROPIONAMIDEN-METHYLOL-3-(DIMETHYLPHOSPHONO)PROPIONAMIDEHYDROXYMETHYL DIMETHYL PHOSPHONOPROPIONAMIDE, N-3-(DIMETHYLPHOSPHONO)PROPIONIC ACID METHYLOLAMIDE3-(DIMETHYLPHOSPHONO)-N-(HYDROXYMETHYL)PROPIONAMIDE3-(O,O'-DIMETHYLPHOSPHONO)-N-METHYLOLPROPIONAMIDEDimethyl [3-[(hydroxymethyl)amino]-3-oxopropyl]phosphonate
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
Physical DescriptionLiquid
Collision Cross Section144.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9040215]
Physicochemical properties
- Boiling point
- 210.5 °C · 210.5°C
- Density
- 1.257 · 1.257
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, DMSO, Methanol
- form
- Oil
- pka
- 13.3 · 13.30±0.10(Predicted)
- color
- Colourless to Light Yellow
- FDA UNII
- 75 TAJ4V · ODS75TAJ4V
- EPA Substance Registry System
- 3 · Phosphonic acid, [3-[(hydroxymethyl)amino]-3-oxopropyl]-, dimethyl ester (20120-33-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
This chemical does not meet GHS hazard criteria for 61.5% (8 of 13) of all reports.
Warning
H317 (30.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 13 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Phosphonic acid, [3-[(hydroxymethyl)amino]-3-oxopropyl]-, dimethyl ester
Phosphonic acid, P-[3-[(hydroxymethyl)amino]-3-oxopropyl]-, dimethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P-[3-[(hydroxymethyl)amino]-3-oxopropyl]-, dimethyl ester 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)
Phosphonic acid, 3-(hydroxymethyl)amino-3-oxopropyl-, dimethyl ester: 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 CategoriesSkin Sens. 1 (30.8%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2920907090
- Toxicity
- rat,LD50,oral,13gm/kg (13000mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA",Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. Vol. (101), Pg. 152, 1983.
- Signal word
- Warning
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Industry UsesFlame retardant
General Manufacturing Information
Textiles, apparel, and leather manufacturing
Phosphonic acid, P-[3-[(hydroxymethyl)amino]-3-oxopropyl]-, dimethyl ester: ACTIVE
Applications
Uses3-(Dimethylphosphono)-N-methylolpropionamide is a phosphorus flame retardant additive.
Preparation methods
Preparation3-(Dimethylphosphono)-N-methylolpropionamide can be synthesized from a base-catalyzed intermediate synthesized from dimethyl phosphite and acrylamide, followed by hydroxymethylation of the intermediate with formaldehyde.
Suppliers63 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司
Related reactions
1 records
Compound notes
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