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CAS 229625-50-7 Di-tert-butyl Chloromethyl Phosphate molecular structure lightbox
CAS RN: 229625-50-7

Di-tert-butyl Chloromethyl Phosphate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260526 10g In stock Inquiry
Batchno.20250226 1g In stock Inquiry
Batchno.20251222 25g In stock Inquiry
Batchno.20260623 5g In stock Inquiry
  • Product code: SSC-111640
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: ≥97%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 229625-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 5 In Stock Shenzhen Inquiry
10g ≥97% 5 In Stock Shanghai Inquiry
25g ≥97% 5 In Stock Shanghai Inquiry
100g ≥97% 5 In Stock Beijing Inquiry
500g ≥97% 5 In Stock Hong Kong Inquiry
1000g ≥97% 5 In Stock Shenzhen Inquiry

229625-50-7 / ditert-butyl chloromethyl phosphate

Standard CAS: 229625-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
229625-50-7
Multi CAS
No
Molecular Formula
C9H20ClO4P
Molecular Weight
258.680000
Exact Mass
258.078774
SMILES
CC(C)(C)OP(=O)(OCCl)OC(C)(C)C
InChI
InChI=1S/C9H20ClO4P/c1-8(2,3)13-15(11,12-7-10)14-9(4,5)6/h7H2,1-6H3
InChIKey
LNJAJHJFSKUCIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
61.09
TPSA
44.76

LogP / Solubility

WLOGP
3.94
MLOGP
3.47
XLogP3
2.2
Consensus LogP
3.2
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

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

Applications of CAS 229625-50-7

This compound is commonly used in laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 229625-50-7 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Nameditert-butyl chloromethyl phosphate

Safety Information (GHS)

Pictogram(s): GHS07. Signal word: Warning.

Precautionary statements: P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

Storage & Handling

Storage: Store under inert gas. Avoid: Moisture Sensitive,Heat Sensitive. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.

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