Basic information
- CAS
4672-38-2- Standard SMILES
CCCP(=O)(O)O- InChIKey
NSETWVJZUWGCKE-UHFFFAOYSA-N- Molecular formula
- C3H9O3P
- Average molar mass
- 124.08 g/mol
- Monoisotopic mass
- 124.02893078
Names & identifiers
- Preferred name
- Propylphosphonic acid
- IUPAC
- propylphosphonic acid
- English name
- Propane-1-phosphonic acid
- Molecular formula
- C3H9O3P
- Molecular weight
- 124.08
Names & synonyms
Propylphosphonic acid4672-38-2Phosphonic acid, P-propyl-RefChem:176556225-121-8NSETWVJZUWGCKE-UHFFFAOYSA-NPropane-1-phosphonic acidn-propylphosphonic acidMFCD00012294CHEMBL1252961-PropylphosphonicacidPropyl-phosphonic acid
Show more names
propanephosphonicacidnia10656Propylphosphonsurepropyl-phosphonicaciFosfomycin Impurity 4Fosfomycin Impurity 12Fosfomycin Impurity 22
1-Propylphosphonic acid cyclic anhydride1-propyl phosphonic acid cyclic anhydridePropylphosphonic acid, 95%SCHEMBL55254SCHEMBL94616SCHEMBL480342SCHEMBL1303156SCHEMBL8388777
Database identifiers
- CAS
4672-38-2- PubChem CID
- 204484
- DTXSID
DTXSID20871092- ChEMBL
CHEMBL125296- EC Number
- 225-121-8
- Nikkaji
- J8.757B
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 84.2
Physicochemical properties
- Melting point
- 67 · 67-71 °C(lit.)
- Boiling point
- 265.3 · 265.3±23.0 °C(Predicted)
- Density
- 1.137 · 1.137 (estimate)
- vapor pressure
- 0 · 0-0.001Pa at 28-53℃
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 2 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:3): 0.25 mg/ml
- form
- solid
- pka
- 1 · pK1:2.49;pK2:8.18 (25°C)
- Stability
- Hygroscopic
- InChI
- InChI=1S/C3H9O3P/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)
- InChIKey
- NSETWVJZUWGCKE-UHFFFAOYSA-N
- SMILES
- P(CCC)(=O)(O)O
- Dissociation constant
- 2.49 · 2.49-8.18 at 25℃
- CAS DataBase Reference
- 4672 · 4672-38-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3260 · UN 3260 8/PG 3
- WGK Germany
- 1 · 1
- RTECS
- 420000 · TA0420000
- HazardClass
- 8 · 8
- PackingGroup
- III
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 03-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5951
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 1
- rtecs
- TA0420000
- ridadr
- UN 3260 8/PG 3
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
UsesPropylphosphonic acid was used in generation of free radicals, to investigate the inactivation of Aeromonas hydrophila by free radicals, generated spontaneously in oxidizing Fe2+-containing groundwaters.1
General DescriptionPropylphosphonic acid is an alkylphosphonic acid. It is an important marker of extremely toxic nerve agents.
Upstream & downstream products
Upstream raw materials
Suppliers55 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
常州卡伏勒环保材料有限公司13839301681 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
深圳摩科生化科技有限公司18627923403 · [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]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
四川义研药物研究有限公司19949968070; 19949968070 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
济南尚博医药股份有限公司18253163690 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
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上海天习化工有限公司021-20960837,QQ1332204249 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
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江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
海蔚化学86-21-51086038 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
郑州汀阳医药科技有限公司0371-18638163978 18638163978 · [email protected]
Related reactions
234 records
Compound notes
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