3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide
Basic information
- CAS
27281-74-9- Standard SMILES
Cc1ccc2nc(N)n[n+]([O-])c2c1- InChIKey
YXSUQKGKNZZCMV-UHFFFAOYSA-N- Molecular formula
- C8H8N4O
- Average molar mass
- 176.18 g/mol
- Monoisotopic mass
- 176.06981089
Names & identifiers
- Preferred name
- 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide
- IUPAC
- 7-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine
- English name
- 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide
- Molecular formula
- C8H8N4O
- Molecular weight
- 176.18
Names & synonyms
3-Amino-7-methyl-1,2,4-benzotriazine-1-oxideRefChem:497501636-679-027281-74-97-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine1,2,4-Benzotriazin-3-amine,7-methyl-, 1-oxideMFCD000240427-Methyl-1,2,4-benzotriazin-3-amine 1-oxideSCHEMBL5461503DTXSID80344934YXSUQKGKNZZCMV-UHFFFAOYSA-NAKOS006230019
Show more names
1,2,4-Benzotriazin-3-amine, 7-methyl-, 1-oxide3-amino-7-methylbenzo[e][1,2,4]triazine 1-oxide3-AMINO-7-METHYL-1,2,4-BENZOTRIAZIN-1-IUM-1-OLATE
DB-047195ST504104433-amino-7-methylbenzo[e]1,2,4-triazin-1-ol3-AMINO-7-METHYL-1,2,4-BENZORIAZINE-1-OXIDE7-Methyl-1-oxo-1lambda~5~,2,4-benzotriazin-3-amine
Database identifiers
- CAS
27281-74-9- PubChem CID
- 600549
- DTXSID
DTXSID80344934- EC Number
- 636-679-0
- Nikkaji
- J2.196.410G
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 275 °C · 275 °C
- solubility
- soluble in Dimethylsulfoxide, Slightly soluble in most solvents
- form
- Solid
- color
- Yellow/Orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 501 · P501-P270-P264-P301+P312+P330
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
Danger
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302
- Precautionary statements
- P501-P270-P264-P301+P312+P330
Chemistry & industry
Applications
Uses7-Methyl-1,2,4-benzotriazin-3-amine 1-Oxide is an intermediate in the synthesis of Azapropazone which is a non-steroidal anti-inflammatory drug.
Suppliers
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Related reactions
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Compound notes
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