1,5-Dichloro-2-iodo-3-methylbenzene

C₇H₅Cl₂ICAS 175277-97-1286.92 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅Cl₂I
Molar mass: 286.92 g/mol
Exact mass: 285.8813 Da
logP: 3.91Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175277-97-1

SMILES

Cc1cc(Cl)cc(Cl)c1I

InChIKey

MNSJEXGGZOEAPS-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl2I/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3

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

Names and synonyms

2 names

Benzene, 1,5-dichloro-2-iodo-3-methyl-
3,5-Dichloro-2-iodotoluene

Work with 1,5-Dichloro-2-iodo-3-methylbenzene

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

3-Chloro-2-iodotoluene5100-98-156 % similar 2,4-Dichloro-6-methylphenol1570-65-655 % similar 2,4-Dichloro-6-methylaniline30273-00-855 % similar 2,5-Dichlorotoluene19398-61-950 % similar 2,4-Dichlorotoluene95-73-850 % similar 4-Chloro-2,6-dimethylphenol1123-63-346 % similar 4-Chloro-2,6-dimethylaniline24596-18-746 % similar 2,5-Dichloro-p-xylene1124-05-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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