CAS 13674-87-8 Tris(1,3-dichloro-2-propyl) Phosphate

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Tris(1,3-dichloro-2-propyl) Phosphate

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Catalog Number

ACM13674878-1

Product Name

Tris(1,3-dichloro-2-propyl) Phosphate

Structure

CAS

13674-87-8

Category

Battery Materials

Synonyms

Phosphoric Acid Tris(1,3-dichloro-2-propyl) Ester

Description

Tris(1,3-dichloro-2-propyl)phosphate is a clear colorless viscous liquid. Generally a super-cooled liquid at room temperature but may occasionally solidify when held at low temperatures for prolonged periods. (NTP, 1992);Liquid

IUPAC Name

tris(1,3-dichloropropan-2-yl) phosphate

Molecular Weight

430.89

Molecular Formula

C9H15Cl6O4P

Canonical SMILES

C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl

InChI

InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2

InChI Key

ASLWPAWFJZFCKF-UHFFFAOYSA-N

Boiling Point

252 °C/15 mmHg

Melting Point

27.0 °C

Flash Point

249 °C

Purity

>93.0%(GC)

Density

1.52

Solubility

less than 1 mg/mL at 75° F (NTP, 1992);1.62e-05 M;In water, 7 mg/L at 24 °C;Soluble in most organic solvents

Appearance

Colorless to Almost colorless clear liquid

Color/Form

Viscous liquid;Clear liquid

Complexity

243

Covalently-Bonded Unit Count

EC Number

237-159-2

Exact Mass

429.880962g/mol

Formal Charge

Hazard Statements

H302 : Harmful if swallowed.H372 : Causes damage to organs through prolonged or repeated exposure.H351 : Suspected of causing cancer.H401 : Toxic to aquatic life.H410 : Very toxic to aquatic life with long lasting effects.

Heavy Atom Count

Log P

3.65 (LogP);log Kow = 3.65

MDL Number

MFCD00083121

MeSH Entry Terms

Fyrol FR 2;TDCPP compound;tris(1,3-dichloro-2-propyl)phosphate

Monoisotopic Mass

427.883912g/mol

Odor

Mild odor

Other Experimental

BP: 236-237 °C at 5 mm Hg;Decomposes gradually when heated above 200 °C;Henry's Law constant = 2.61X10-9 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.81X10-11 cu cm/molec-sec at 25 °C (est)

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P202 : Do not handle until all safety precautions have been read and understood.P201 : Obtain special instructions before use.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P391 : Collect spillage.P308 + P313 : IF exposed or concerned: Get medical advice/ attention.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P405 : Store locked up.

Refractive Index

1.5

Rotatable Bond Count

Signal Word

Danger

Specific Gravity

1.52

Stability

Resistant to chlorination in aqueous soln; it has an extremely low rate of hydrolysis & resists attack by bases.

UNII

B1PRV4G0T0

Vapor Pressure