tris(2-chloroethyl) phosphite

• ChemBase ID: 137518
• Molecular Formular: C6H12Cl3O3P
• Molecular Mass: 269.490441
• Monoisotopic Mass: 267.95896391
• SMILES: C(CCl)OP(OCCCl)OCCCl
• Canonical SMILES: ClCCOP(OCCCl)OCCCl
• InChI: InChI=1S/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2
• InChIKey: LUVCTYHBTXSAMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-chloroethyl) phosphite
• IUPAC Traditional name: tris(2-chloroethyl) phosphite
• Synonyms: Tris(2-chloroethyl) phosphite; 三(2-氯乙基)亚磷酸酯

Database IDs

• CAS Number: 140-08-9
• EC Number: 205-397-6
• MDL Number: MFCD00000968
• PubChem SID: 24900541; 162231780
• PubChem CID: 8783

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0167
• LogD (pH = 7.4): 3.0167
• Log P: 3.0167
• Molar Refractivity: 56.0066 cm^3
• Polarizability: 22.392986 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 112-115 °C/2 mmHg(lit.)
• Flash Point: 190 °C; 191 °C; 374 °F; 375 °F
• Density: 1.328 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.487(lit.)

Safety Information

• RTECS: KK2810000
• European Hazard Symbols: Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 45-21-25-36/37/38; 45-46-23/24/25-36/37/38
• Safety Statements: 53-26-36/37/39-45; 53-26-36/37-45
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H311-H315-H319-H330-H335-H340-H350
• GHS Precautionary statements: P201-P260-P280-P284-P301 + P310-P305 + P351 + P338
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: 85%; 97%
• Linear Formula: (ClCH2CH2O)3P

DETAILS

Sigma Aldrich - 691968

Packaging
500 g in glass bottle