[email protected]
CAS 1617-17-0 2-Chloropropionitrile molecular structure lightbox
CAS RN: 1617-17-0

2-Chloropropionitrile

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250720 100g In stock Inquiry
Batchno.20250826 1g In stock Inquiry
Batchno.20260314 25g In stock Inquiry
Batchno.20250407 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260606 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-069324
GET A QUOTE
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: 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1617-17-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

1617-17-0 / 2-chloropropanenitrile

Standard CAS: 1617-17-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1617-17-0
Multi CAS
No
Molecular Formula
C3H4ClN
Molecular Weight
89.520000
Exact Mass
89.003227
SMILES
CC(C#N)Cl
InChI
InChI=1S/C3H4ClN/c1-3(4)2-5/h3H,1H3
InChIKey
JNAYPRPPXRWGQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.67
H-bond acceptors
1
Molar refractivity
20.93
TPSA
23.79

LogP / Solubility

WLOGP
1.14
MLOGP
0.99
XLogP3
1
Consensus LogP
1.04
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-2.46

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 Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (97.6%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us