1,4-Dichlorophthalazine

C8H4Cl2N2CAS 4752-10-7199.03 g/mol

Open in Covalent MOL file
ClNNCl
Aryl halide

Properties

Molecular formula
C8H4Cl2N2
Molar mass
199.03 g/mol
Exact mass
197.9752 Da
Melting point
163 °C
logP
2.94Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
4752-10-7
SMILES
Clc1nnc(Cl)c2ccccc12
InChIKey
ODCNAEMHGMYADO-UHFFFAOYSA-N
InChI
InChI=1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H

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Names and synonyms

1 names
  • Phthalazine, 1,4-dichloro-

Work with 1,4-Dichlorophthalazine

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

1,4-Dichloropyrido[4,3-D]pyridazine14490-19-854 % similar 4-Bromo-1-chloroisoquinoline66728-98-148 % similar 3-Chloro-1,2-benzoxazole16263-52-846 % similar 1-Chloroisoquinoline19493-44-846 % similar 3-Chloroindazole29110-74-546 % similar 4-Chloro-quinazoline5190-68-146 % similar 3-Chloro-1,2-benzisothiazole7716-66-746 % similar 9,10-Dichloroanthracene605-48-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichloroquinoxaline18671-97-1 2,3-Dichloroquinoxaline2213-63-0 5,7-Dichloro-1,6-naphthyridine337958-60-8 2,4-Dichloroquinazoline607-68-1

Elsewhere

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