5-Chloro-4-(hydroxy(oxido)amino)-2,1,3-benzothiadiazole
Basic information
- CAS
2274-89-7- Standard SMILES
O=[N+]([O-])c1c(Cl)ccc2nsnc12- InChIKey
MSDMEVQEACHYNS-UHFFFAOYSA-N- Molecular formula
- C6H2ClN3O2S
- Average molar mass
- 215.62 g/mol
- Monoisotopic mass
- 214.9556252
Names & identifiers
- Preferred name
- 5-Chloro-4-(hydroxy(oxido)amino)-2,1,3-benzothiadiazole
- IUPAC
- 5-chloro-4-nitro-2,1,3-benzothiadiazole
- English name
- 5-Chloro-4-nitro-2,1,3-benzothiadiazole
- Molecular formula
- C6H2ClN3O2S
- Molecular weight
- 215.62
Names & synonyms
5-chloro-4-nitro-2,1,3-benzothiadiazole2274-89-75-Chloro-4-(hydroxy(oxido)amino)-2,1,3-benzothiadiazoleNSC-202425VT9K8WZ9C5DTXSID60177282RefChem:1072797DTXCID10997735-Chloro-4-nitrobenzo[c][1,2,5]thiadiazoleNSC202425MFCD000849702,1,3-Benzothiadiazole, 5-chloro-4-nitro-
Show more names
5-CHLORO-4-NITROBENZO-2,1,3-THIADIAZOLE5-CHLORO-4-NITRO-BENZO[1,2,5]THIADIAZOLE5-chloro-4-nitro-2,1,3-benzothiadiazole 6H2ClN3O2S
5-chloro-4-nitrobenzo[c]1,2,5-thiadiazoleBUTTPARK 93\04-01NSC 202425Oprea1_1636925-Chlor-4-nitrobenzothiadiazolSCHEMBL3419143chloronitrobenzo-2,1,3-thiadiazoleBBL012327
Database identifiers
- CAS
2274-89-7- PubChem CID
- 305449
- DTXSID
DTXSID60177282- UNII
- VT9K8WZ9C5
- Nikkaji
- J444.399C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 141 ℃ · 141℃
- Boiling point
- 348.8 · 348.8±22.0 °C(Predicted)
- Density
- 1.749 · 1.749
- storage temp.
- 2 · 2-8°C
- pka
- -2.89 · -2.89±0.48(Predicted)
- FDA UNII
- 9 K8WZ9C5 · VT9K8WZ9C5
- Comptox DTXSID
- 60177282 · DTXSID60177282
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses5-Chloro-4-nitro-2,1,3-benzothiadiazole can be used to overcome herbicide resistance in weeds. It can also be used on fungal diseases of cotton and grapes.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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