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CAS 14267-92-6 5-Chloro-1-pentyne molecular structure lightbox
CAS RN: 14267-92-6

5-Chloro-1-pentyne

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250103 100ml In stock Inquiry
Batchno.20260217 1ml In stock Inquiry
Batchno.20250109 25ml In stock Inquiry
Batchno.20250809 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250521 1ml / 5ml / 25ml / 100ml Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: ICTC1522
  • Purity/Analytical Methods: >96.0%(GC)
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14267-92-6 / 5-chloropent-1-yne

Standard CAS: 14267-92-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14267-92-6
Multi CAS
No
Molecular Formula
C5H7Cl
Molecular Weight
102.560000
Exact Mass
102.023628
SMILES
C#CCCCCl
InChI
InChI=1S/C5H7Cl/c1-2-3-4-5-6/h1H,3-5H2
InChIKey
UXFIKVWAAMKFQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
Molar refractivity
28.79
TPSA
0.0000

LogP / Solubility

WLOGP
1.64
MLOGP
1.43
XLogP3
1.8
Consensus LogP
1.62
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.18

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
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (17%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (14.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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