Basic information
- Standard SMILES
O=C(O)CCP(=O)(O)O- InChIKey
NLBSQHGCGGFVJW-UHFFFAOYSA-N- Molecular formula
- C3H7O5P
- Average molar mass
- 154.06 g/mol
- Monoisotopic mass
- 154.00310995
Overview
structure
Names & identifiers
- Preferred name
- 3-Phosphonopropionic acid
- IUPAC
- 3-phosphonopropanoic acid
- English name
- 3-PHOSPHONOPROPIONIC ACID
- Molecular formula
- C3H7O5P
- Molecular weight
- 154.06
Names & synonyms
3-Phosphonopropionic acid5962-42-5Propanoic acid, 3-phosphono-beta-Phosphonopropionic acidCEPA cpdcarboxyethylphosphonic acidDTXSID3064069RefChem:567950DTXCID6042656227-738-83-phosphonopropanoic acid2-CARBOXYETHYLPHOSPHONIC ACID
Show more names
PHOSPHONOPROPIONICACID3-phosphono-propanoicaci3-PhosphonopropionicAcid>3-Phosphonopropionicacid,94%3-Phosphonopropanoic acid 5GR
1iigEINECS 227-738-8(2-Carboxyethyl)phosphonic Acid8DM1R7808M3-phosphopropionateMFCD00002770CHEMBL1088324UNII-8DM1R7808M
Database identifiers
- CAS
5962-42-5- PubChem CID
- 1682
- DTXSID
DTXSID3064069- ChEMBL
CHEMBL1088324- UNII
- 8DM1R7808M
- EC Number
- 227-738-8
- Nikkaji
- J223.912D
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 165 °C · 165 °C
- Boiling point
- 459.8 · 459.8±47.0 °C(Predicted)
- Density
- 1.677 · 1.677±0.06 g/cm3(Predicted)
- refractive index
- 1.518 · 1.5180 (estimate)
- Flash point
- 150 °C · 150 °C
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 2.16 · 2.16±0.10(Predicted)
- form
- Powder
- color
- White
- Water Solubility
- 328 g/L · 328g/L(20 ºC)
- BRN
- 1768923 · 1768923
- InChI
- 1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)
- InChIKey
- NLBSQHGCGGFVJW-UHFFFAOYSA-N
- SMILES
- OC(=O)CCP(O)(O)=O
- CAS DataBase Reference
- 5962 · 5962-42-5
- FDA UNII
- 8 DM1R7808M · 8DM1R7808M
- EPA Substance Registry System
- 3 · 3-Phosphonopropionic acid (5962-42-5)
- 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 · 26-27-28-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 2558437 · UA2558437
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29319090 · 29319090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 44% (37 of 84) of reports.
Danger
H314 (56%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 84 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Propanoic acid, 3-phosphono-
Hazard Classes and CategoriesSkin Corr. 1B (56%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UA2558437
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29319090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 3-phosphono-: ACTIVE
Applications
Uses3-Phosphonopropionic acid was used to functionalize the bulk phosphate glass surface.
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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Syntechem Co.,Ltd[email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [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]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
南京多隆生物科技有限公司18905173768 · [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]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
Related reactions
2 records
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