CAS 4318-56-3 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione (HCID 96141)

Overview

6-Chloro-3-methyluracil is an organohalogen compound and a member of pyrimidines.

Names & identifiers

Preferred name: 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione
IUPAC: 6-chloro-3-methyl-1H-pyrimidine-2,4-dione
English name: 6-Chloro-3-methyluracil
Molecular formula: C5H5ClN2O2
Molecular weight: 160.56

Names & synonyms

6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione6-Chloro-3-methylpyrimidine-2,4[1H,3H]-dioneRefChem:541670610-113-26-Chloro-3-methyluracil4318-56-33-Methyl-6-chlorouracil6-chloro-3-methyl-1H-pyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-methyl-MFCD010748376-chloro-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneNSC55976

Show more names

6-chloro-2-hydroxy-3-MethylpyriMidin-4(3H)-oneChloro-3-Methylura6-Chloro-3-Methyuracil3-METHYL-6-CHLOROURACIAlogliptin Impurity 866-Chloro-3-methyluraci6-Chloro-3-dimethyl uracil

NSC-55976AYQ4JL346JDTXSID001957636-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedioneHMS2629J15Alogliptin intermediateTrelagliptin intermediateC2300

Database identifiers

CAS: 4318-56-3
PubChem CID: 96141
DTXSID: DTXSID00195763
ChEMBL: CHEMBL1556752
ChEBI: CHEBI:189258
UNII: AYQ4JL346J
EC Number: 610-113-2
Nikkaji: J348.053D

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 49.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 224

Physicochemical properties

Melting point: 278 · 278-280°C (dec.)
Density: 0 · 0,896 gr/cm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
pka: 7.16 · 7.16±0.40(Predicted)
color: White to Almost white
BRN: 511456 · 511456
InChI: InChI=1S/C5H5ClN2O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,1H3,(H,7,10)
InChIKey: SGLXGFAZAARYJY-UHFFFAOYSA-N
SMILES: C1(=O)NC(Cl)=CC(=O)N1C
CAS DataBase Reference: 4318 · 4318-56-3(CAS DataBase Reference)
FDA UNII: 4 JL346J · AYQ4JL346J
UNSPSC Code: 41106305 · 41106305
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 1992 · UN 1992
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29335990 · 29335990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.