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CAS 16672-87-0 (2-Chloroethyl)phosphonic Acid molecular structure lightbox
CAS RN: 16672-87-0

(2-Chloroethyl)phosphonic Acid

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250331 1.2ml In stock Shanghai, Shandong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250826 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei, Guangdong Inquiry
  • Product code: ICTC1456
  • Purity/Analytical Methods: >98.0%(T)
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16672-87-0 / 2-chloroethylphosphonic acid

Standard CAS: 16672-87-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
16672-87-0
Multi CAS
No
Molecular Formula
C2H6ClO3P
Molecular Weight
144.490000
Exact Mass
143.974309
SMILES
C(CCl)P(=O)(O)O
InChI
InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
InChIKey
UDPGUMQDCGORJQ-UHFFFAOYSA-N

Physical Properties

Melting Point
74-75 °C
Boiling Point
265 °C (decomposes)
Density
1.2 g/cu cm
Physical Description
Very hygroscopic solid; [Merck Index] Light beige powder
Appearance
Needles from benzene White waxy solid White crystalline powder
State
Solid
Storage Conditions
Keep out of reach of children and animals. Store in original containers only. Store in a cool, dry place. Carefully open containers. After partial use, replace lids and close tightly. Do not put concentrate or dilute material into food or drink containers. Do not contaminate water, food, or feed by storage or disposal. /Boll Buster/

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
27.63
TPSA
57.53

LogP / Solubility

WLOGP
0.4
MLOGP
0.35
XLogP3
-1
Consensus LogP
-0.08
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-3.32

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
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Environmental Hazard Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H311: Toxic in contact with skin [Danger Acute toxicity, dermal] H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H332: Harmful if inhaled [Warning Acute toxicity, inhalation] H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P261, P262, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P391, P405, and P501 P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P391, P405, and P501 P261, P262, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P405, and P501 P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P318, P321, P362+P364, P363, P405, and P501

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