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CAS 115-96-8 Tris(2-chloroethyl) Phosphate molecular structure lightbox
CAS RN: 115-96-8

Tris(2-chloroethyl) Phosphate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260305 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-014694
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 500g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 115-96-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shenzhen Inquiry

115-96-8 / tris(2-chloroethyl) phosphate

Tris(2-chloroethyl) phosphate | Tris(2-chloroethyl)phosphate | Celluflex

Standard CAS: 115-96-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
115-96-8
Multi CAS
Yes
Molecular Formula
C6H12Cl3O4P
Molecular Weight
285.500000
Exact Mass
283.953879
SMILES
C(CCl)OP(=O)(OCCCl)OCCCl
InChI
InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2
InChIKey
HQUQLFOMPYWACS-UHFFFAOYSA-N
Synonyms
Tris(2-chloroethyl) phosphate Tris(2-chloroethyl)phosphate Celluflex Disflamoll TCA Celluflex CEF

Physical Properties

Melting Point
less than -76 °F (NTP, 1992) -55 °C -51 °C
Boiling Point
626 °F at 760 mmHg (NTP, 1992) 330 °C BP: 210-220 °C
Density
1.425 at 68 °F (NTP, 1992) - Denser than water; will sink 1.39 g/cu cm at 25 °C Relative density (water = 1): 1.4
Physical Description
Tris(2-chloroethyl) phosphate is an odorless clear liquid. Neutral pH. (NTP, 1992) A clear liquid with a slight odor; [HSDB] COLOURLESS-TO-YELLOW LIQUID.
Appearance
Clear, transparent liquid Low viscosity liquid
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator, and keep away from oxidizing agents. (NTP, 1992) Keep in a well-ventilated room. Store in an area without drain or sewer access. Separated from food and feedstuffs. Provision to contain effluent from fire extinguishing. Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage.

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
57.62
TPSA
44.76

LogP / Solubility

WLOGP
2.86
MLOGP
2.53
XLogP3
1.3
Consensus LogP
2.23
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H351: Suspected of causing cancer [Warning Carcinogenicity] H360F ***: May damage fertility [Danger Reproductive toxicity] H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H302 (97.3%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P308+P316, P318, P319, P321, P330, P337+P317, P391, P405, and P501 P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P308+P316, P318, P319, P321, P330, P332+P317, P337+P317, P403+P233, P405, and P501
Hazard Class/Division
9
Packing Group
III

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