CAS 37107-81-6 5-Vinyluracil (HCID 99305)

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Basic information

CAS: 37107-81-6
Standard SMILES: C=Cc1c[nH]c(=O)[nH]c1=O
InChIKey: ZRYZBEQILKESAW-UHFFFAOYSA-N
Molecular formula: C6H6N2O2
Average molar mass: 138.12 g/mol
Monoisotopic mass: 138.04292743

Overview

RN given refers to unlabeled parent cpd

Names & identifiers

Preferred name: 5-Vinyluracil
IUPAC: 5-ethenyl-1H-pyrimidine-2,4-dione
English name: 5-VINYLURACIL
Molecular formula: C6H6N2O2
Molecular weight: 138.12

Names & synonyms

5-Vinyluracil37107-81-65-Ethenyl-2,4(1H,3H)-pyrimidinedioneFZA8N5LEF2NSC-208961DTXSID30190605RefChem:103478DTXCID30113096636-836-35-Vinylpyrimidine-2,4(1H,3H)-dione5-ethenyl-1H-pyrimidine-2,4-dioneMFCD00913267

Show more names

5-ethenylpyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 5-ethenyl- (9CI)

5-Vinyl-1H-pyrimidine-2,4-dioneNSC 2089612,4(1H,3H)-Pyrimidinedione, 5-ethenyl-CHEMBL1701885-Ethenyl-NSC2089615-Vinyluracil, 95%UNII-FZA8N5LEF2

Database identifiers

CAS: 37107-81-6
PubChem CID: 99305
DTXSID: DTXSID30190605
ChEMBL: CHEMBL170188
UNII: FZA8N5LEF2
EC Number: 636-836-3
Nikkaji: J452.248F

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 230

Physicochemical properties

Melting point: 300 °C · >300 °C (dec.) (lit.)
Density: 1.332 · 1.332±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer
solubility: DMSO (Slightly), Methanol (Slightly, Heated), Water
form: Powder
pka: 8.57 · 8.57±0.10(Predicted)
color: Pale Yellow to Light Beige
InChI: 1S/C6H6N2O2/c1-2-4-3-7-6(10)8-5(4)9/h2-3H,1H2,(H2,7,8,9,10)
InChIKey: ZRYZBEQILKESAW-UHFFFAOYSA-N
SMILES: C=CC1=CNC(=O)NC1=O
FDA UNII: 8 N5LEF2 · FZA8N5LEF2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335

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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.