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CAS 128363-76-8 BORANE-DI(TERT-BUTYL)PHOSPHINE COMPLEX molecular structure lightbox
CAS RN: 128363-76-8

BORANE-DI(TERT-BUTYL)PHOSPHINE COMPLEX

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2 package records2 with current stock
Batch No.PackageAvailabilityInquiry
Batchno.20250326 1g In stock Inquiry
Batchno.20250407 5g In stock Inquiry
  • Product code: starshine_CAS128363-76-8
  • Purity/Analytical Methods: >99.0%
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128363-76-8 / BORANE-DI(TERT-BUTYL)PHOSPHINE COMPLEX

Standard CAS: 128363-76-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
128363-76-8
Multi CAS
No
Molecular Formula
C8H19BP
Molecular Weight
157.020000
Exact Mass
157.131743
SMILES
[B].CC(C)(C)PC(C)(C)C
InChI
InChI=1S/C8H19P.B/c1-7(2,3)9-8(4,5)6;/h9H,1-6H3;
InChIKey
NFTWUNMDOWXENK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
53.58
TPSA
0.0000

LogP / Solubility

WLOGP
2.88
MLOGP
2.53
XLogP3
2.88
Consensus LogP
2.76
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-1.63

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)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H261 (100%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P231+P232, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P402+P404, P403+P233, P405, and P501

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