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CAS 1079-66-9 Chlorodiphenylphosphine molecular structure lightbox
CAS RN: 1079-66-9

Chlorodiphenylphosphine

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260407 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250216 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250803 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: ICTC0597
  • Purity/Analytical Methods: >97.0%(T)
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1079-66-9 / chloro(diphenyl)phosphane

Chlorodiphenylphosphine | Diphenylchlorophosphine | Diphenylphosphinous chloride

Standard CAS: 1079-66-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1079-66-9
Multi CAS
Yes
Molecular Formula
C12H10ClP
Molecular Weight
220.630000
Exact Mass
220.020865
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)Cl
InChI
InChI=1S/C12H10ClP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey
XGRJZXREYAXTGV-UHFFFAOYSA-N
Synonyms
Chlorodiphenylphosphine Diphenylchlorophosphine Diphenylphosphinous chloride Phosphinous chloride, diphenyl- chloro(diphenyl)phosphane

Physical Properties

Physical Description
Yellow liquid; [Merck Index] Yellow liquid with an acrid odor
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
Molar refractivity
64.93
TPSA
0.0000

LogP / Solubility

WLOGP
3.27
MLOGP
2.88
XLogP3
3.8
Consensus LogP
3.32
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H290 (67%): May be corrosive to metals [Warning Corrosive to Metals] H302 (73.1%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (99.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (85.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H412 (66.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P234, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501

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