[email protected]
CAS 13010-19-0 3-Chloropropyl Isocyanate molecular structure lightbox
CAS RN: 13010-19-0

3-Chloropropyl Isocyanate

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250527 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251204 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-036807
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: ≥95%
  • 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 13010-19-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

13010-19-0 / 1-chloro-3-isocyanatopropane

Standard CAS: 13010-19-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13010-19-0
Multi CAS
No
Molecular Formula
C4H6ClNO
Molecular Weight
119.550000
Exact Mass
119.013792
SMILES
C(CN=C=O)CCl
InChI
InChI=1S/C4H6ClNO/c5-2-1-3-6-4-7/h1-3H2
InChIKey
RQAVSDINDRNIKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
28.33
TPSA
29.43

LogP / Solubility

WLOGP
0.95
MLOGP
0.83
XLogP3
1.9
Consensus LogP
1.23
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-2.77

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)
Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (13%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (87%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (91.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us