CAS 104103-06-2 4-Methyl-7-nitro-1H-indazole (HCID 22166018)

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Basic information

CAS: 104103-06-2
Standard SMILES: Cc1ccc([N+](=O)[O-])c2[nH]ncc12
InChIKey: IALDSOZYXPLUMA-UHFFFAOYSA-N
Molecular formula: C8H7N3O2
Average molar mass: 177.16 g/mol
Monoisotopic mass: 177.05382646

Names & identifiers

Preferred name: 4-Methyl-7-nitro-1H-indazole
IUPAC: 4-methyl-7-nitro-1H-indazole
English name: 4-Methyl-7-nitro-1H-indazole
Molecular formula: C8H7N3O2
Molecular weight: 177.16

Names & synonyms

4-Methyl-7-nitro-1H-indazole104103-06-2MFCD08689688SCHEMBL9689065DTXSID80623099IALDSOZYXPLUMA-UHFFFAOYSA-NSBB089251AKOS005072368EA-0859SY020032DB-358438CS-0131048

Show more names

1H-Indazole, 4-methyl-7-nitro-

D94882F236944F8632554-Methyl-7-nitro-1H-indazole, 104103-06-2, SureCN9689065, CTK5I3004, MolPort-001-757-935, ANW-74258, SBB089251, ZINC08729916, AKOS005072368, AG-A-77061, EA-0859, MCULE-3525825251, RP10743, AK-70292, KB-61548, Y5152

Database identifiers

CAS: 104103-06-2
PubChem CID: 22166018
DTXSID: DTXSID80623099

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 74.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 216

Physicochemical properties

Melting point: 178 · 178-180
storage temp.: 2 · 2-8°C
form: Solid
Appearance: Light yellow to yellow Solid
Symbol(GHS): 6 · GHS06,GHS07,GHS08
Signal word: Danger
Hazard statements: 301 · H301-H319-H351-H360
Precautionary statements: 201 · P201-P202-P264-P270-P280-P281-P301+P310-P305+P351+P338-P308+P313-P321-P330-P337+P313-P405-P501
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

Safety data

hs_code: 2933998090
Signal word: Danger
Symbol(GHS): GHS06,GHS07,GHS08
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H301-H319-H351-H360
Precautionary statements: P201-P202-P264-P270-P280-P281-P301+P310-P305+P351+P338-P308+P313-P321-P330-P337+P313-P405-P501