tricalcaphospha-1,4-diene

• ChemBase ID: 145294
• Molecular Formular: Ca3H2P2
• Molecular Mass: 184.197402
• Monoisotopic Mass: 183.85094626
• SMILES: P(=[Ca])[Ca]P=[Ca]
• Canonical SMILES: [Ca]=P[Ca]P=[Ca]
• InChI: InChI=1S/3Ca.2P
• InChIKey: HMTIWQQJRUFNAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricalcaphospha-1,4-diene
• IUPAC Traditional name: tricalcaphospha-1,4-diene
• Synonyms: Calcium phosphide; 磷化钙

Database IDs

• CAS Number: 1305-99-3
• EC Number: 215-142-0
• MDL Number: MFCD00015986
• PubChem SID: 24864973; 24845745; 24852725; 162239501
• PubChem CID: 4337964

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.9
• LogD (pH = 7.4): -0.9
• Log P: -0.9
• Molar Refractivity: 10.4 cm^3
• Polarizability: 12.991441 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: chunks; granular

Safety Information

• European Hazard Symbols: Flammable (F); Nature polluting (N); Highly toxic (T+)
• UN Number: 1360
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 15/29-28-50
• Safety Statements: 22-28-36/37-43-45-61; 22-43-45-61
• GHS Pictograms: GHS02; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H260-H300-H400
• GHS Precautionary statements: P223-P231 + P232-P264-P273-P370 + P378-P422
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1360 4.3/PG 1
• Supplemental Hazard Statements: Contact with water liberates toxic gas.

Product Information

• Purity: ≥23.5% Ca3P2 basis; ≥8% active phoshor (P) basis
• Grade: technical
• Particle Size: 1-7 mm; 3-16 mm
• Impurities: Ca3(PO4)2; calcium polyphosphates; CaO
• Quality: for the preparation of phosphine and diphosphine
• Linear Formula: Ca3P2

DETAILS

Sigma Aldrich - 400971

Packaging
100 g in glass bottle