Basic information
- CAS
2635-84-9- Standard SMILES
CCCC(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
DVDUMIQZEUTAGK-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Overview
P-nitrophenyl butyrate is a butyrate ester resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of butyric acid. It is a C-nitro compound and a butyrate ester. It is functionally related to a 4-nitrophenol.
Names & identifiers
- Preferred name
- 4-Nitrophenyl butyrate
- IUPAC
- (4-nitrophenyl) butanoate
- English name
- P-nitrophenyl butyrate
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
4-Nitrophenyl butyrate2635-84-9p-Nitrophenyl butyrateButanoic acid, 4-nitrophenyl esterp-Nitrophenol butyratepara-Nitrophenyl butyratep-nitrophenylbutyratep-nitrophenyl butanoatepNP-butyrate42RWS6BQC4DTXSID80180955NSC-6867
Show more names
4-Nitrophenol butyratePARA-NITROPHENYLBUTYRATE4-Nitrophenyl butyrate >=98%BUTYRIC ACID 4-NITROPHENYL ESTERButanoic acid p-nitrophenyl ester
CHEBI:85867RefChem:525989DTXCID20103446628-908-8(4-nitrophenyl) butanoate4-nitrophenyl butanoateMFCD00047734Butyric acid, p-nitrophenyl ester
Database identifiers
- CAS
2635-84-9- PubChem CID
- 75834
- DTXSID
DTXSID80180955- ChEMBL
CHEMBL591439- ChEBI
CHEBI:85867- UNII
- 42RWS6BQC4
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesFluorescence
Physical DescriptionClear yellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 184 · 184-185 °C
- Density
- 1.19 g/mL · 1.19 g/mL at 20 °C(lit.)
- storage temp.
- -20 °C · -20°C
- solubility
- 0.1 g/mL, · chloroform: 0.1 g/mL, clear, faintly yellow
- form
- A neat oil
- color
- Colorless to light yellow
- BRN
- 1879729 · 1879729
- InChI
- InChI=1S/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3
- InChIKey
- DVDUMIQZEUTAGK-UHFFFAOYSA-N
- SMILES
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
Warning
H317 (100%): 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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationButanoic acid, 4-nitrophenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; May cause skin sensitization; [Sigma-Aldrich MSDS] No results for 2635-84-9 AND (allergic OR dermatitis OR sensitizer OR sensitization); [PubMed] See Nitrobenzene.
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29156000
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H317
- Hazard Classifications
Chemistry & industry
Applications
DescriptionP-nitrophenyl butyrate also kown as 4-nitrophenyl butyrate, is a probe for lipase activity. It is hydrolyzed by lipase in the water ambient condition, giving rise to p-nitrophenol and butyric acid. P-nitrophenol actually occurs in the anionic form, p-nitrophenolate, giving a yellowish coloration and absorbing light at 410 nm in an alkaline buffer such as Tris-HCl pH 7.5.
Uses4-Nitrophenyl butyrate is a substrate for esterase, and lipase enzyme. Hydrolysis of 4-nitrophenyl butyrate by these enzymes releases the chromophore, 4-nitrophenolate which is spectrophotometrically analysed at 415 nm.
Upstream & downstream products
Upstream raw materials
Suppliers96 total
阿诺西（上海）生物技术有限公司
Related reactions
1 records
Compound notes
Loading…