4-(3-Phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
Basic information
- CAS
875164-21-9- Standard SMILES
O=C(O)CCCc1nc(-c2ccccc2)no1- InChIKey
MZTVBDKRHBBHNR-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
Names & identifiers
- Preferred name
- 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
- IUPAC
- 4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
- English name
- 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
- Molecular formula
- C12H12N2O3
- Molecular weight
- 232.24
Names & synonyms
4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid875164-21-9RefChem:513390985-279-54-(3-Phenyl-[1,2,4]oxadiazol-5-yl)-butyric acidMFCD06407630MLS000083178SCHEMBL562989CHEMBL1329600MZTVBDKRHBBHNR-UHFFFAOYSA-NHMS1698H03HMS2411A16
Show more names
AKOS BB-7105TIMTEC-BB SBB011638ASINEX-REAG BAS 098906811,2,4-oxadiazole-5-butanoic acid, 3-phenyl-
BBL007675SBB011638STK239146AKOS000112011SMR000048632VS-01707CS-0241657ST50288811
Database identifiers
- CAS
875164-21-9- PubChem CID
- 667252
- ChEMBL
CHEMBL1329600- EC Number
- 985-279-5
- Nikkaji
- J3.687.528C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 452.4 · 452.4±47.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- pka
- 4.55 · 4.55±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
7 records
Compound notes
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