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CAS 1111-92-8 DIMETHYLPHOSPHINIC CHLORIDE molecular structure lightbox
CAS RN: 1111-92-8

DIMETHYLPHOSPHINIC CHLORIDE

  • Product code: SSC-011978
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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: 1g
  • Available purity: ≥97%
  • 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 1111-92-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1111-92-8 / [chloro(methyl)phosphoryl]methane

Dimethylphosphinic chloride | Phosphinic chloride, dimethyl- | EINECS 214-187-3

Standard CAS: 1111-92-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1111-92-8
Multi CAS
No
Molecular Formula
C2H6ClOP
Molecular Weight
112.490000
Exact Mass
111.984480
SMILES
CP(=O)(C)Cl
InChI
InChI=1S/C2H6ClOP/c1-5(2,3)4/h1-2H3
InChIKey
CVNMBKFJYRAHPO-UHFFFAOYSA-N
Synonyms
Dimethylphosphinic chloride Phosphinic chloride, dimethyl- EINECS 214-187-3 DTXSID40149503 RefChem:588592

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
25.31
TPSA
17.07

LogP / Solubility

WLOGP
1.76
MLOGP
1.54
XLogP3
0.2
Consensus LogP
1.17
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-2.15

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (83%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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