Basic information
- CAS
4378-40-9- Standard SMILES
CCC(C(=O)O)P(=O)(O)O- InChIKey
PWSXRGRLZKVHLW-UHFFFAOYSA-N- Molecular formula
- C4H9O5P
- Average molar mass
- 168.08 g/mol
- Monoisotopic mass
- 168.01876002
Names & identifiers
- Preferred name
- 2-Phosphonobutyric acid
- IUPAC
- 2-phosphonobutanoic acid
- English name
- 2-Phosphonobutyric acid
- Molecular formula
- C4H9O5P
- Molecular weight
- 168.09
Names & synonyms
2-PHOSPHONOBUTYRIC ACID2-phosphonobutanoic Acid4378-40-9MFCD00041416phosphonobutyric acidButanoic acid, 2-phosphono-SCHEMBL1960686DTXSID50400495AKOS017343178CS-01323112-Phosphonobutyricacid,97%2-Phosphonobutanoic acid, 97 %
Database identifiers
- CAS
4378-40-9- PubChem CID
- 4186724
- DTXSID
DTXSID50400495- EC Number
- 679-486-7
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 123 · 123-127°C
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 5 · GHS05
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P309-P310
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · 3261
- HazardClass
- 8 · 8
- PackingGroup
- II
Safety & regulation
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Safety data
- ridadr
- 3261
- risk_code
- 34
- Symbol(GHS)
- GHS05
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H314-H318
- Precautionary statements
- P280-P305+P351+P338-P309-P310
Chemistry & industry
Suppliers13 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [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]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
1 records
Compound notes
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