selenourea

• ChemBase ID: 129436
• Molecular Formular: CH5N2Se
• Molecular Mass: 124.0238
• Monoisotopic Mass: 124.96179417
• SMILES: NC(=[SeH])N
• Canonical SMILES: NC(=[SeH])N
• InChI: InChI=1S/CH4N2Se/c2-1(3)4/h(H4,2,3,4)
• InChIKey: IYKVLICPFCEZOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: selenourea
• IUPAC Traditional name: selenourea
• Synonyms: Selenourea; Selenourea; 硒脲

Database IDs

• CAS Number: 630-10-4
• EC Number: 211-129-9
• MDL Number: MFCD00008065
• Beilstein Number: 1734744
• PubChem SID: 24853808; 24888282; 162223730
• PubChem CID: 6327594
• Wikipedia Title: Selenourea

CALCULATED PROPERTIES

• Acid pKa: 17.910606
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -0.4622
• LogD (pH = 7.4): -0.4622
• Log P: -0.4622
• Molar Refractivity: 25.0588 cm^3
• Polarizability: 5.7092757 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Pink/grey solid; Powder, Ampouled under argon
• Melting Point: 210-215 °C (dec.); 214°C; ca 210°C dec.
• Boiling Point: 200°C

Safety Information

• Storage Warning: Air & Moisture Sensitive; Light Sensitive
• RTECS: YU1820000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3283; UN3283
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 23/25-33-50/53
• Safety Statements: 20/21-28-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H331-H373-H400-H410; H301-H331-H373-H410
• GHS Precautionary statements: P260-P261-P301+P310-P321-P405-P501A; P261-P273-P301 + P310-P311-P501
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3283 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (Se); 98%; 99%; 99.97% (metals basis)
• Grade: purum
• Linear Formula: NH2CSeNH2

DETAILS

Sigma Aldrich - 230499

Packaging
1, 10 g in glass bottle