5-Chloro-6-(chloromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

C₅H₄Cl₂N₂O₂CAS 73742-45-7195.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₅H₄Cl₂N₂O₂
Molar mass: 195.00 g/mol
Exact mass: 193.9650 Da
logP: 0.46Crippen estimate
Polar surface area: 65.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

73742-45-7

SMILES

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

InChIKey

BXVCXZREYQLVTA-UHFFFAOYSA-N

InChI

InChI=1S/C5H4Cl2N2O2/c6-1-2-3(7)4(10)9-5(11)8-2/h1H2,(H2,8,9,10,11)

Weigh it out

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

Names and synonyms

1 names

2,4(1H,3H)-Pyrimidinedione,5-chloro-6-(chloromethyl)-(9ci)

Work with 5-Chloro-6-(chloromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

Same formula

4-Chloro-3-nitropyridine hydrochloride54079-68-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook