7-methoxy-1H-1,2,3-benzotriazole
Basic information
- CAS
27799-90-2- Standard SMILES
COc1cccc2n[nH]nc12- InChIKey
BFBZLCUTOUZMLJ-UHFFFAOYSA-N- Molecular formula
- C7H7N3O
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.05891186
Names & identifiers
- Preferred name
- 7-methoxy-1H-1,2,3-benzotriazole
- IUPAC
- 4-methoxy-2H-benzotriazole
- English name
- 4-Methoxy-1H-benzotriazole
- Molecular formula
- C7H7N3O
- Molecular weight
- 149.15
Names & synonyms
7-Methoxy-1H-1,2,3-benzotriazoleRefChem:546661852-373-127799-90-24-Methoxy-1H-benzotriazole7-methoxy-1H-benzo[d][1,2,3]triazole4-methoxy-2H-benzotriazole1H-Benzotriazole, 7-methoxy-7-methoxy-1~{H}-benzotriazoleCHEMBL4879253MFCD279486341H-Benzotriazole, 4-methoxy-
Show more names
158910
4-Methoxy-1H-1,2,3-benzotriazole(4-methoxy)benzotriazoleSCHEMBL6470134SCHEMBL10515238SCHEMBL11144420SCHEMBL17697488DTXSID103436174-Methoxy-2H-1,2,3-benzotriazole
Database identifiers
- CAS
27799-90-2- PubChem CID
- 590941
- DTXSID
DTXSID10343617- ChEMBL
CHEMBL4879253- EC Number
- 852-373-1
- Nikkaji
- J99.973C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 388 · 388.0±15.0 °C(Predicted)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- pka
- 8.61 · 8.61±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-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-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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