3-(Furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid
Basic information
- CAS
19747-13-8- Standard SMILES
O=C(O)C(=Cc1ccco1)n1nnnc1-c1ccccc1- InChIKey
YVQAGBCKIDNFLC-UHFFFAOYSA-N- Molecular formula
- C14H10N4O3
- Average molar mass
- 282.25 g/mol
- Monoisotopic mass
- 282.07529019
Names & identifiers
- Preferred name
- 3-(Furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid
- IUPAC
- 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid
- English name
- (2Z)-3-(2-Furyl)-2-(5-phenyl-1H-tetrazol-1-yl)acrylic acid
- Molecular formula
- C14H10N4O3
- Molecular weight
- 282.25
Names & synonyms
19747-13-83-(furan-2-yl)-2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)prop-2-enoic acid3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid(2Z)-3-(2-furyl)-2-(5-phenyl-1H-tetrazol-1-yl)acrylic acidUAA74713AKOS0344496441H-Tetrazole-1-acetic acid, α-(2-furanylmethylene)-5-phenyl-
Database identifiers
- CAS
19747-13-8- PubChem CID
- 3569296
- EC Number
- 129-446-5
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Boiling point
- 513.1 · 513.1±60.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- -0.74 · -0.74±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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