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CAS 127-88-8 Bis(2-chloroethyl)phosphoramidic Dichloride molecular structure lightbox
CAS RN: 127-88-8

Bis(2-chloroethyl)phosphoramidic Dichloride

  • Product code: SSC-034387
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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: ≥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 127-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

127-88-8 / 2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine

Standard CAS: 127-88-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
127-88-8
Multi CAS
No
Molecular Formula
C4H8Cl4NOP
Molecular Weight
258.900000
Exact Mass
258.906812
SMILES
C(CCl)N(CCCl)P(=O)(Cl)Cl
InChI
InChI=1S/C4H8Cl4NOP/c5-1-3-9(4-2-6)11(7,8)10/h1-4H2
InChIKey
IQPMYTNILJQKBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
52.33
TPSA
20.31

LogP / Solubility

WLOGP
3.35
MLOGP
2.96
XLogP3
2.4
Consensus LogP
2.9
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (97.4%): Toxic in contact with skin [Danger Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin] H331 (97.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P203, P260, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501

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