4,4'-Diiodo-2,2'-dimethylbiphenyl

C₁₄H₁₂I₂CAS 69571-02-4434.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₂I₂
Molar mass: 434.06 g/mol
Exact mass: 433.9028 Da
logP: 5.18Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H318 Causes serious eye damage97.5% of notifiers
H400 Very toxic to aquatic life97.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P354+P338, P317, P391, P501

Identifiers

CAS number

69571-02-4

SMILES

CC1=C(C=CC(=C1)I)C2=C(C=C(C=C2)I)C

InChIKey

WHFMNDMHTIOIMS-UHFFFAOYSA-N

InChI

InChI=1S/C14H12I2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,1-2H3

Weigh it out

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

Names and synonyms

1 names

4,4'-Diiodo-2,2'-dimethyl-1,1'-biphenyl

Work with 4,4'-Diiodo-2,2'-dimethylbiphenyl

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

1-Iodo-3,4-dimethylbenzene31599-61-867 % similar 1-Chloro-4-iodo-2-methylbenzene116632-41-856 % similar 4-Iodo-2-methylaniline13194-68-856 % similar 2-Bromo-5-iodotoluene202865-85-856 % similar 1-Fluoro-4-iodo-2-methylbenzene452-68-656 % similar 2-Fluoro-4-iodo-1-methylbenzene39998-81-750 % similar 2-Chloro-4-iodo-1-methylbenzene83846-48-450 % similar 5-Iodo-o-toluidine83863-33-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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