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C₁₀H₆Cl₂N₂CAS 3740-92-9225.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₆Cl₂N₂
Molar mass: 225.07 g/mol
Exact mass: 223.9908 Da
Melting point: 96.9 °C
logP: 3.45Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H317 May cause an allergic skin reaction98.6% of notifiers
H318 Causes serious eye damage59.2% of notifiers
H332 Harmful if inhaled100% of notifiers
H400 Very toxic to aquatic life42.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects42.3% of notifiers

Aggregated from 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

3740-92-9

SMILES

Clc1cc(Cl)nc(-c2ccccc2)n1

InChIKey

NRFQZTCQAYEXEE-UHFFFAOYSA-N

InChI

InChI=1S/C10H6Cl2N2/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-6H

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

Names and synonyms

5 names

Pyrimidine, 4,6-dichloro-2-phenyl-
4,6-Dichloro-2-phenylpyrimidine
2-Phenyl-4,6-dichloropyrimidine
CGA 123407
NSC 27713

Work with Fenclorim

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-Chloro-2,6-diphenylpyrimidine29509-91-980 % similar 4-(Biphenyl-4-yl)-6-chloro-2-phenylpyrimidine1689538-58-674 % similar 4-Chloro-2-phenylpyrimidine14790-42-261 % similar 2,4-Dichloro-6-phenyl-1,3,5-triazine1700-02-360 % similar 2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-560 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-659 % similar 2-(4-Biphenylyl)-4,6-dichloro-1,3,5-triazine10202-45-656 % similar 2-([1,1'-Biphenyl]-4-yl)-4-chloro-6-phenyl-1,3,5-triazine1472062-94-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4'-Dichloro-2,2'-bipyridine1762-41-0 2,4-Dichloro-6-phenylpyrimidine26032-72-4 2-Chloro-5-(4-chlorophenyl)pyrimidine27956-40-7

Elsewhere

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