2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
21743-68-0- Standard SMILES
O=C(O)Cn1nnc(-c2ccccc2)n1- InChIKey
HXVZLHXCUVJOAQ-UHFFFAOYSA-N- Molecular formula
- C9H8N4O2
- Average molar mass
- 204.19 g/mol
- Monoisotopic mass
- 204.0647255
Names & identifiers
- Preferred name
- 2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetic acid
- IUPAC
- 2-(5-phenyltetrazol-2-yl)acetic acid
- English name
- (5-Phenyl-tetrazol-2-yl)-acetic acid
- Molecular formula
- C9H8N4O2
- Molecular weight
- 204.19
Names & synonyms
2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetic acidRefChem:459002821-039-721743-68-0(5-phenyl-2H-tetrazol-2-yl)acetic acid2-(5-phenyltetrazol-2-yl)acetic acidMFCD002693275-Phenyl-2H-tetrazole-2-acetic acid2H-Tetrazole-2-aceticacid, 5-phenyl-2-(5-Phenyl-2H-tetrazol-2-yl)acetic acid(5-Phenyl-tetrazol-2-yl)-acetic acid2-(5-phenyl-1,2,3,4-tetraazol-2-yl)acetic acid
Show more names
AKOS B018498BUTTPARK 10\01-17ART-CHEM-BB B018498CHEMBRDG-BB 5926012TIMTEC-BB SBB007104
2H-Tetrazole-2-acetic acid, 5-phenyl-(5-phenyl-2H-tetraazol-2-yl)acetic acidChemDiv3_011306Oprea1_405789Oprea1_642089CHEMBL291283SCHEMBL40245345-phenyltetrazol-2-ylacetic acid
Database identifiers
- CAS
21743-68-0- PubChem CID
- 1086563
- DTXSID
DTXSID60360177- ChEMBL
CHEMBL291283- EC Number
- 821-039-7
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H319-H315-H335-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
2 records
Compound notes
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