4-chloro-5-nitro-1H-indazole
Basic information
- CAS
907958-42-3- Standard SMILES
O=[N+]([O-])c1ccc2[nH]ncc2c1Cl- InChIKey
AXZCWGUWGPLXOR-UHFFFAOYSA-N- Molecular formula
- C7H4ClN3O2
- Average molar mass
- 197.58 g/mol
- Monoisotopic mass
- 196.9992041
Names & identifiers
- Preferred name
- 4-chloro-5-nitro-1H-indazole
- IUPAC
- 4-chloro-5-nitro-1H-indazole
- English name
- 4-CHLORO-5-NITRO-(1H)INDAZOLE
- Molecular formula
- C7H4ClN3O2
- Molecular weight
- 197.58
Names & synonyms
4-Chloro-5-nitro-1H-indazole907958-42-3DTXSID40327849RefChem:98470DTXCID60278960889-301-3MFCD11007841NSC6943164-Chloro-5-nitro-(1H)indazoleSCHEMBL7543300CHEMBL1966021SCHEMBL29948598
Show more names
1H-Indazole, 4-chloro-5-nitro-4-chloro-5-nitro-1H-indazole - [C87845]
AKOS006305608NSC-694316AS-40431NCI60_033768SY242769CS-01309964-Chloro-5-(hydroxy(oxido)amino)-1H-indazoleEN300-1700067
Database identifiers
- CAS
907958-42-3- PubChem CID
- 393038
- DTXSID
DTXSID40327849- ChEMBL
CHEMBL1966021- EC Number
- 889-301-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 243 °C · 243 °C
- Boiling point
- 414.1 · 414.1±25.0 °C(Predicted)
- Density
- 1.661 · 1.661±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 10.53 · 10.53±0.40(Predicted)
- Appearance
- Light yellow to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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