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CAS 13674-87-8 Tris(1,3-dichloro-2-propyl) Phosphate molecular structure lightbox
CAS RN: 13674-87-8

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251119 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Chongqing, Hebei, Guangdong, Shandong Inquiry
  • Product code: SSC-045748
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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 13674-87-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Hong Kong Inquiry

13674-87-8 / tris(1,3-dichloropropan-2-yl) phosphate

Standard CAS: 13674-87-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13674-87-8
Multi CAS
No
Molecular Formula
C9H15Cl6O4P
Molecular Weight
430.900000
Exact Mass
429.880962
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
InChIKey
ASLWPAWFJZFCKF-UHFFFAOYSA-N

Physical Properties

Boiling Point
457 to 459 °F at 5 mmHg (NTP, 1992) BP: 236-237 °C at 5 mm Hg
Density
1.508 at 72 °F (NTP, 1992) - Denser than water; will sink 1.48 kg/L at 25 °C
Physical 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 mp = 27 deg C; [ChemIDplus] Clear colorless liquid; [CAMEO]
Appearance
Viscous liquid Clear liquid
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material under ambient temperatures. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
86.55
TPSA
44.76

LogP / Solubility

WLOGP
4.68
MLOGP
4.15
XLogP3
3.3
Consensus LogP
4.04
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H351: Suspected of causing cancer [Warning Carcinogenicity] H351 (94.4%): Suspected of causing cancer [Warning Carcinogenicity] H410 (59.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H411 (24.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P280, P318, P405, and P501 P203, P273, P280, P318, P391, P405, and P501

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