Basic information
- CAS
10493-27-3- Standard SMILES
COc1ccc(-c2nn[nH]n2)cc1OC- InChIKey
WMRZMZRQOCOXLD-UHFFFAOYSA-N- Molecular formula
- C9H10N4O2
- Average molar mass
- 206.2 g/mol
- Monoisotopic mass
- 206.08037557
Overview
5-(3,4-dimethoxyphenyl)-2H-tetrazole is a member of tetrazoles.
Names & identifiers
- Preferred name
- 5-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazole
- IUPAC
- 5-(3,4-dimethoxyphenyl)-2H-tetrazole
- English name
- BUTTPARK 21\02-64
- Molecular formula
- C9H10N4O2
- Molecular weight
- 206.2
Names & synonyms
5-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazoleRefChem:529695879-094-810493-27-35-(3,4-dimethoxyphenyl)-2H-tetrazole1H-Tetrazole, 5-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-1H-tetrazole5-(3,4-Dimethoxy-phenyl)-1H-tetrazoleSMR000141724ChemDiv2_002403Cambridge id 6569283Oprea1_516528
Show more names
BUTTPARK 21\02-645-(3,4-Dimethoxy-phenyl)-2H-tetrazole2H-Tetrazole, 5-(3,4-dimethoxyphenyl)-
MLS000534287BUTTPARK 212-64CHEMBL43462SCHEMBL187940SCHEMBL13113066DTXSID10345035CHEBI:115595HMS1375N05
Database identifiers
- CAS
10493-27-3- PubChem CID
- 601291
- DTXSID
DTXSID10345035- ChEMBL
CHEMBL43462- ChEBI
CHEBI:115595- EC Number
- 879-094-8
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 206 · 206-207 °C(Solv: ethanol (64-17-5))
- Boiling point
- 390.1 · 390.1±52.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- pka
- 4.24 · 4.24±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
- H319-H302-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Additional notes
DefinitionChEBI: 5-(3,4-dimethoxyphenyl)-2H-tetrazole is a member of tetrazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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