2-Iodo-1-methyl-4-nitrobenzene

C₇H₆INO₂CAS 7745-92-8263.03 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₆INO₂
Molar mass: 263.03 g/mol
Exact mass: 262.9443 Da
Melting point: 58 °C
Boiling point: 114–116 °C (at 0.2 Torr)
logP: 2.51Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed89.1% of notifiers
H312 Harmful in contact with skin89.1% of notifiers
H315 Causes skin irritation13% of notifiers
H319 Causes serious eye irritation13% of notifiers
H332 Harmful if inhaled89.1% of notifiers
H335 May cause respiratory irritation10.9% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

7745-92-8

SMILES

Cc1ccc([N+](=O)[O-])cc1I

InChIKey

BUQSRXQJUZTIEW-UHFFFAOYSA-N

InChI

InChI=1S/C7H6INO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names

Benzene, 2-iodo-1-methyl-4-nitro-
Toluene, 2-iodo-4-nitro-
2-Iodo-4-nitrotoluene
1-Iodo-2-methyl-5-nitrobenzene
NSC 310164

Work with 2-Iodo-1-methyl-4-nitrobenzene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Nitro-o-xylene99-51-470 % similar 2,4-Dinitrotoluene121-14-266 % similar 2-Chloro-4-nitrotoluene121-86-862 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-262 % similar 2-Methyl-5-nitrophenol5428-54-662 % similar 2-Iodo-4-nitroaniline6293-83-062 % similar 2-Bromo-1-methyl-4-nitrobenzene7745-93-962 % similar 2-Methyl-5-nitroaniline99-55-862 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodo-2-methoxynicotinaldehyde158669-26-2 3-Iodoisonicotinic acid methyl ester188677-49-8 2-Amino-4-iodo-benzoic acid20776-54-9 2-Amino-3-iodobenzoic acid20776-55-0 4-Amino-3-iodobenzoic acid2122-63-6 4-Iodo-2-nitrotoluene41252-97-5 1-Iodo-2-methyl-4-nitrobenzene5326-38-5 4-Iodo-3-nitrotoluene5326-39-6

Elsewhere

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