2,4-Dichloropyrimidine-5-carbonyl chloride

C₅HCl₃N₂OCAS 2972-52-3211.43 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₅HCl₃N₂O
Molar mass: 211.43 g/mol
Exact mass: 209.9154 Da
logP: 2.16Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed95.3% of notifiers
H312 Harmful in contact with skin95.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage90.7% of notifiers
H332 Harmful if inhaled95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

2972-52-3

SMILES

C1=C(C(=NC(=N1)Cl)Cl)C(=O)Cl

InChIKey

DZTIFMWYYHCREC-UHFFFAOYSA-N

InChI

InChI=1S/C5HCl3N2O/c6-3-2(4(7)11)1-9-5(8)10-3/h1H

Weigh it out

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

Names and synonyms

1 names

2,4-Dichloro-5-pyrimidinecarbonyl chloride

Work with 2,4-Dichloropyrimidine-5-carbonyl chloride

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

2-Chloro-4-(trifluoromethyl)-5-pyrimidinecarbonyl chloride154934-99-358 % similar Methyl2,4-dichloropyrimidine-5-carboxylate3177-20-656 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-851 % similar Isopropanyl 2,4-dichloropyrimidine-5-carboxylate69312-43-251 % similar 2-Chloronicotinoyl chloride49609-84-949 % similar 2,4,5-Trichloropyrimidine5750-76-545 % similar 2,4-Dichloro-5-(trifluoromethyl)pyrimidine3932-97-643 % similar 2,4-Dichloropyrimidine-5-carbaldehyde871254-61-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4,6-Trichloro-5-pyrimidinecarboxaldehyde50270-27-4

Elsewhere

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