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CAS 1779-51-7 Butyltriphenylphosphonium Bromide molecular structure lightbox
CAS RN: 1779-51-7

Butyltriphenylphosphonium Bromide

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251102 100g In stock Inquiry
Batchno.20260319 250g In stock Inquiry
Batchno.20250430 25g In stock Inquiry
Batchno.20251208 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260612 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250209 1kg In stock Shanghai, Shenzhen Inquiry
Batchno.20250709 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250311 500g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-077768
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1779-51-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
100g ≥98% 5 In Stock Beijing Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

1779-51-7 / butyl(triphenyl)phosphanium bromide

Standard CAS: 1779-51-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1779-51-7
Multi CAS
No
Molecular Formula
C22H24BrP
Molecular Weight
399.300000
Exact Mass
398.079900
SMILES
CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI
InChI=1S/C22H24P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1
InChIKey
IKWKJIWDLVYZIY-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
104.92
TPSA
0.0000

LogP / Solubility

WLOGP
1.78
MLOGP
1.59
XLogP3
1.78
Consensus LogP
1.72
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (82.3%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (17.7%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (78.8%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (17.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (82.7%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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