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CAS 1119-46-6 5-Chlorovaleric Acid molecular structure lightbox
CAS RN: 1119-46-6

5-Chlorovaleric Acid

Product Availability

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250523 100g In stock Inquiry
Batchno.20250719 25g In stock Inquiry
Batchno.20251108 500g Out of stock Inquiry
Batchno.20250903 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251205 100ml In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250823 25ml In stock Shanghai, Shandong Inquiry
Batchno.20260130 500ml In stock Shandong Inquiry
Batchno.20260625 5ml In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-012373
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥96%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1119-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥96% 0 Out of Stock Hong Kong Inquiry

1119-46-6 / 5-chloropentanoic acid

5-Chlorovaleric acid | 5-CHLOROPENTANOIC ACID | Pentanoic acid, 5-chloro-

Standard CAS: 1119-46-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1119-46-6
Multi CAS
No
Molecular Formula
C5H9ClO2
Molecular Weight
136.580000
Exact Mass
136.029107
SMILES
C(CCCl)CC(=O)O
InChI
InChI=1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
InChIKey
YSXDKDWNIPOSMF-UHFFFAOYSA-N
Synonyms
5-Chlorovaleric acid 5-CHLOROPENTANOIC ACID Pentanoic acid, 5-chloro- 5-Chloro-n-valeric acid 5-chloro-pentanoic acid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.21
TPSA
37.3

LogP / Solubility

WLOGP
1.48
MLOGP
1.29
XLogP3
1.2
Consensus LogP
1.32
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-2.5

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (91.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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