Basic information
- CAS
18671-92-6- Standard SMILES
Nc1nc2ccc(Cl)cc2[n+]([O-])n1- InChIKey
OXILOAZZXVNKSG-UHFFFAOYSA-N- Molecular formula
- C7H5ClN4O
- Average molar mass
- 196.59 g/mol
- Monoisotopic mass
- 196.0151885
Names & identifiers
- Preferred name
- 3-Amino-7-chloro-1,2,4-benzotriazine-1-oxide
- IUPAC
- 7-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine
- English name
- 3-Amino-7-chloro-1,2,4-benzotriazine-1-oxide
- Molecular formula
- C7H5ClN4O
- Molecular weight
- 196.59
Names & synonyms
3-AMINO-7-CHLORO-1,2,4-BENZOTRIAZINE-1-OXIDERefChem:497495633-758-118671-92-67-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-amineTriazoxide-amino3-AMINO-7-CHLOROBENZO[E][1,2,4]TRIAZINE 1-OXIDETriazoxide amino1,2,4-Benzotriazin-3-amine,7-chloro-, 1-oxideSCHEMBL781743TQP0609DTXSID601028687
Show more names
7-chloro-1,2,4-Benzotriazin-3-amine 1-oxide1,2,4-Benzotriazin-3-amine, 7-chloro-, 1-oxide
TAA67192AKOS006271761AKOS037646070MB00335AS-66283DA-18903NS00067827W18705
Database identifiers
- CAS
18671-92-6- PubChem CID
- 504232
- DTXSID
DTXSID601028687- EC Number
- 633-758-1
Properties
Computed structural properties
- XLogP
- 0.5
- 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
- 193
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Melting point
- 302 °C · 302 °C (decomp)
- Boiling point
- 462.4 · 462.4±37.0 °C(Predicted)
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- pka
- 3 · 3.00±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H315-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-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
Danger
H302 (100%): 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H335-H315-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
Uses3-Amino-7-chlorobenzo[e][1,2,4]triazine 1-oxide is used as an intermediate in the synthesis of heterocyclic N-oxides and 1,2,4-benzotriazine series.
Suppliers2 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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