3-Iodoaniline
Properties
- Molecular formula
- C6H6IN
- Molar mass
- 219.03 g/mol
- Exact mass
- 218.9545 Da
- Melting point
- 33 °C
- Boiling point
- 145 °C
- logP
- 1.87Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation97.9% of notifiers
- H319 Causes serious eye irritation14.6% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation85.4% of notifiers
Aggregated from 48 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
626-01-7SMILES
Nc1cccc(I)c1InChIKey
FFCSRWGYGMRBGD-UHFFFAOYSA-NInChI
InChI=1S/C6H6IN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzenamine, 3-iodo-
- Aniline, m-iodo-
- 3-Iodobenzenamine
- m-Aminoiodobenzene
- m-Iodoaniline
- NSC 34545
- (3-Iodophenyl)amine
- 3-Aminophenyl iodide
Work with 3-Iodoaniline
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
M-Phenylenediamine108-45-260 % similar
1,3-Diiodobenzene626-00-660 % similar
m-Phenylenediamine hydrochloride541-69-552 % similar
3-Chloroaniline108-42-948 % similar
1-Fluoro-3-iodobenzene1121-86-448 % similar
3-Fluoroaniline372-19-048 % similar
1-Chloro-3-iodobenzene625-99-048 % similar
3-Iodobenzylamine696-40-246 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.