Basic information
- Standard SMILES
CCOP(=O)(CO)OCC- InChIKey
RWIGWWBLTJLKMK-UHFFFAOYSA-N- Molecular formula
- C5H13O4P
- Average molar mass
- 168.13 g/mol
- Monoisotopic mass
- 168.05514553
Names & identifiers
- Preferred name
- Diethyl phosphonomethanol
- IUPAC
- diethoxyphosphorylmethanol
- English name
- Diethyl (hydroxymethyl)phosphonate
- Molecular formula
- C5H13O4P
- Molecular weight
- 168.13
Names & synonyms
Diethyl (hydroxymethyl)phosphonate3084-40-0diethoxyphosphorylmethanolDiethyl phosphonomethanolPhosphonic acid, (hydroxymethyl)-, diethyl ester(Hydroxymethyl)phosphonic acid, diethyl esterPhosphonic acid, P-(hydroxymethyl)-, diethyl esterNR74SN9XT3EINECS 221-391-6DTXSID6062838diethyl P-(hydroxymethyl)phosphonateRefChem:587276
Show more names
midbodyAURORA KA-1421intermediateobjectDIETHYL HYDROXYMETHYLTenofovir Impurity 83Diethyl PhosphonometanolDiethyl hydroxymethyl phosphate
DTXCID9038268221-391-6Diethyl hydroxymethylphosphonateDiethyl(hydroxymethyl)phosphonate(Hydroxymethyl)phosphonic Acid Diethyl EsterC5H13O4PMFCD00014418Tenofovir Impurity 62
Database identifiers
- CAS
3084-40-0- PubChem CID
- 76513
- DTXSID
DTXSID6062838- UNII
- NR74SN9XT3
- EC Number
- 221-391-6
- Nikkaji
- J217.247J
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 115
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 124 · 124-126 °C/3 mmHg (lit.)
- Density
- 1.14 g/mL · 1.14 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.444(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Viscous Liquid
- pka
- 13 · 13.00±0.10(Predicted)
- color
- Clear colorless to yellow
- Water Solubility
- 500 g/L · 500g/L at 20℃
- InChI
- InChI=1S/C5H13O4P/c1-3-8-10(7,5-6)9-4-2/h6H,3-5H2,1-2H3
- InChIKey
- RWIGWWBLTJLKMK-UHFFFAOYSA-N
- SMILES
- P(CO)(=O)(OCC)OCC
- CAS DataBase Reference
- 3084 · 3084-40-0(CAS DataBase Reference)
- FDA UNII
- 74 SN9XT3 · NR74SN9XT3
- NIST Chemistry Reference
- Diethyl hydroxymethylphosphonate(3084-40-0)
- EPA Substance Registry System
- Phosphonic acid, (hydroxymethyl)-, diethyl ester (3084-40-0)
- UNSPSC Code
- 12352108 · 12352108
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26-36-37
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29319090 · 29319090
- Storage Class
- 12 · 12 - Non Combustible Liquids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 82.7% (43 of 52) of all reports.
Warning
H315 (15.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Phosphonic acid, P-(hydroxymethyl)-, diethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P-(hydroxymethyl)-, diethyl 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)
Status: Active Update: 27-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32469
Hazard Classes and CategoriesSkin Irrit. 2 (15.4%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29319090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-36-37
- Storage Class
- 12 - Non Combustible Liquids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesFlame retardant
General Manufacturing Information
Asphalt Paving, Roofing, and Coating Materials Manufacturing
Phosphonic acid, P-(hydroxymethyl)-, diethyl ester: ACTIVE
Applications
UsesDiethyl hydroxymethylphosphonate acts as a reactant for synthesis of α And β-dialkoxyphosphoryl isothiocyanate used in antiproliferative studies, dendritic polyglycerol anions for L-selectin inhibition, phosphonates for anti-HIV-1 activity, homo and copolymers of phosphonated norbornenes, Mitsunobu reactions. It is involved in studies of FBPase inhibition by phosphonic acid-containing thaizoles.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [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 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
常州琬瑶生物科技有限公司0519-89185693 15312551983 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
南京励合化学新材料有限公司025-87787262
成都瑞欧克科技有限公司028-64353063 · [email protected]
Ring Specialty Chemicals Inc.+1 416 493 6870 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
Related reactions
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