7-Nitroindole

C₈H₆N₂O₂CAS 6960-42-5162.15 g/mol

Open in Covalent MOL file

Nitro

Properties

Molecular formula: C₈H₆N₂O₂
Molar mass: 162.15 g/mol
Exact mass: 162.0429 Da
Melting point: 113 °C
Boiling point: 170–175 °C
logP: 2.08Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H315 Causes skin irritation12.5% of notifiers
H319 Causes serious eye irritation12.5% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H335 May cause respiratory irritation12.5% of notifiers
H341 Suspected of causing genetic defects75% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6960-42-5

SMILES

O=[N+]([O-])c1cccc2cc[nH]c12

InChIKey

LZJGQIVWUKFTRD-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O2/c11-10(12)7-3-1-2-6-4-5-9-8(6)7/h1-5,9H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

1H-Indole, 7-nitro-
Indole, 7-nitro-
7-Nitro-1H-indole
NSC 69874

Work with 7-Nitroindole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,8-Dinitronaphthalene602-38-056 % similar 4-Nitroindole4769-97-556 % similar 1-Nitronaphthalene86-57-753 % similar 4-Benzyl-10,19-diethyl-4,10,19-triaza-1,7,13,16-tetraoxacycloheneicosane397864-11-850 % similar 1,2-Dinitrobenzene528-29-050 % similar 1,5-Dinitronaphthalene605-71-050 % similar 7-Nitroindazole2942-42-949 % similar 2-Chloro-1,3-dinitrobenzene606-21-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyrazolo[1,5-A]pyridine-5-carboxylic acid104468-87-3 3-(5-Azaindole)carboxylic acid119248-43-0 N-Phenylsydnone120-06-9 Imidazo[1,2-A]pyridine-8-carboxylic acid133427-08-4 1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-3 Imidazo(1,2-a)pyridine-6-carboxylic acid139022-25-6 2,3-Dihydro-1,4-phthalazinedione1445-69-8 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-3

Elsewhere

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