2-Methyl-6-nitro-1H-indole

HCID 600508

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Basic information

CAS: 3484-23-9
Standard SMILES: Cc1cc2ccc([N+](=O)[O-])cc2[nH]1
InChIKey: QYRWLOIXPQRTLO-UHFFFAOYSA-N
Molecular formula: C9H8N2O2
Average molar mass: 176.17 g/mol
Monoisotopic mass: 176.0585775

Names & identifiers

Preferred name: 2-Methyl-6-nitro-1H-indole
IUPAC: 2-methyl-6-nitro-1H-indole
English name: 2-methyl-6-nitro-1H-Indole
Molecular formula: C9H8N2O2
Molecular weight: 176.17

Names & synonyms

2-Methyl-6-nitro-1H-indole3484-23-9DTXSID00344931RefChem:475810DTXCID80296005804-809-7MFCD131786562-methyl-6-nitroindole1H-Indole, 2-methyl-6-nitro-6-Nitro-2-methylindoleSCHEMBL16307242-Methyl-6-nitro-1H-indole #

Show more names

AKOS016005625AKOS034830285CS-W018723SB14908DS-18309SY026384DB-069083F228771

Database identifiers

CAS: 3484-23-9
PubChem CID: 600508
DTXSID: DTXSID00344931
EC Number: 804-809-7
Nikkaji: J526.224K

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 61.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 214

Physicochemical properties

Melting point: 113.5 · 113.5-114.5 °C
Boiling point: 365.6 · 365.6±22.0 °C(Predicted)
Density: 1.355 · 1.355±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 15.34 · 15.34±0.30(Predicted)
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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.