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CAS 13938-94-8 Carbonylbis(triphenylphosphine)rhodium(I) Chloride molecular structure lightbox
CAS RN: 13938-94-8

Carbonylbis(triphenylphosphine)rhodium(I) Chloride

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13 package records12 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250716 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250820 100mg In stock Shanghai Inquiry
Batchno.20250808 1g In stock Shanghai Inquiry
Batchno.20260311 250mg In stock Shanghai Inquiry
Batchno.20250712 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260701 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250419 1g In stock Shanghai Inquiry
Batchno.20250529 250mg In stock Shanghai Inquiry
Batchno.20250322 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250204 100mg In stock Inquiry
Batchno.20251030 1g In stock Inquiry
Batchno.20260127 250mg In stock Inquiry
Batchno.20251205 5g Out of stock Inquiry
  • Product code: ICTB1692
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13938-94-8 / carbon monoxide;rhodium;bis(triphenylphosphane);chloride

Standard CAS: 13938-94-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13938-94-8
Multi CAS
No
Molecular Formula
C37H30ClOP2Rh-
Molecular Weight
690.900000
Exact Mass
690.051540
SMILES
[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Rh]
InChI
InChI=1S/2C18H15P.CO.ClH.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;;1H;/p-1
InChIKey
RMJBMLFXJWHQJH-UHFFFAOYSA-M

Physical Properties

Physical Description
Yellow crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
36
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
174.23
TPSA
19.9

LogP / Solubility

WLOGP
3.85
MLOGP
3.45
XLogP3
3.85
Consensus LogP
3.72
Log S (ESOL)
-6.79
Class (ESOL)
Insoluble
Log S (Ali)
-8.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.2

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
5.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (57.1%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (57.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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