Tris(2-chloroethyl)phosphate-d12|tris[2-chloro(2H4)ethyl] phosphate|tris[2-chloro(2H4)ethyl] phosphate|Tris(2-chloroethyl)phosphate-d12|Tris(β-chloroethy...

Molecular Formula

C₆H₁₂Cl₃O₄P

Molecular Mass

285.489841

Exact Mass

283.95387853

InChI

InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2

InChIKey

HQUQLFOMPYWACS-UHFFFAOYSA-N

Canonic Smiles

ClCCOP(=O)(OCCCl)OCCCl

Isomeric Smiles

C(CCl)OP(=O)(OCCCl)OCCCl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.1072478

LogD (pH = 7.4)

2.1072478

Log P

2.1072478

Molar Refractivity

56.1287

Polarizability

23.046373

Polar Surface Area

44.76

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

Tris(2-chloroethyl)phosphate-d12Tri(β-chloroethyl)phosphate-d12Fyrol CF-d12Tris(β-chloroethyl)phosphate-d12Tris(2-chloroethyl)phosphate-d122-Chloroethanol-d12 PhosphateTri(2-chloroethyl)phosphate-d12Fyrol CEF-d12Niax 3CF-d12CLP-d12NSC 3213-d12Tris(2-chloroethyl)orthophosphate-d12Celluflex CEF-d12Tri(chloroethyl)phosphate-d12Amgard TCEP-d12Genomoll P-d123CF-d12Disflamoll TCA-d12

IUPAC Traditional name

tris[2-chloro(²H₄)ethyl] phosphate

IUPAC name

tris[2-chloro(²H₄)ethyl] phosphate

MDL Number

MFCD20257118

PubChem CID

71309797

PubChem SID

162230691

European Hazard Symbols

Nature polluting (N)

Toxic (T)

Safety Statements

53-45-61

German water hazard class

GHS Hazard statements

H302-H351-H360-H411

GHS Precautionary statements

P201-P273-P281-P308+P313

Risk Statements

60-22-40-51/53

Hazard Class

6.1

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

GHS Signal Word

Danger

MSDS Link

Download link

RID/ADR

UN 2810 6.1/PG 3

Packing Group

UN Number

2810

Product Information

Isotopic Purity

98 atom % D

Linear Formula

(ClCD2CD2O)3P(O)

Mol. Weight

mol wt 297.32 by atom % calculation

Purity

97% (CP)

Certificate of Analysis

Download link

Physical Property

Boiling Point

192 °C/10 mmHg(lit.)

Density

1.448 g/mL at 25 °C

Mass Shift

M+12

No Data Available

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No Data Available

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Sigma Aldrich

694290

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

TRC

T875502

Labelled Tris(2-chloroethyl)phosphate (T875500). A human urinary organophosphate flame retardant metabolite.

From Data Sources

• Tilson, H., et al.: Toxicol. Appl. Pharmacol., 106, 254 (1990)

• Saboori, A., et al.: J. Biol .Chem., 265, 19792 (1990)

• Latendresse, J., et al.: Toxicol. Pathol., 22, 341 (1990)

Commercial Catalog

Academic Data

Synonyms

IUPAC Traditional name

tris[2-chloro(²H₄)ethyl] phosphate

IUPAC name

tris[2-chloro(²H₄)ethyl] phosphate

MDL Number

PubChem CID

PubChem SID

694290

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

TRC

T875502

Labelled Tris(2-chloroethyl)phosphate (T875500). A human urinary organophosphate flame retardant metabolite.

From Data Sources

• Tilson, H., et al.: Toxicol. Appl. Pharmacol., 106, 254 (1990)

• Saboori, A., et al.: J. Biol .Chem., 265, 19792 (1990)

• Latendresse, J., et al.: Toxicol. Pathol., 22, 341 (1990)

Safety Information

Product Information

Isotopic Purity

98 atom % D

Linear Formula

(ClCD2CD2O)3P(O)

Mol. Weight

mol wt 297.32 by atom % calculation

Purity

97% (CP)

Certificate of Analysis

Download link

Physical Property

Boiling Point

192 °C/10 mmHg(lit.)

Density

1.448 g/mL at 25 °C

Mass Shift

M+12

Molecule

ID:136421