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CAS 227197-72-0 6-CHLORO-BENZOXAZOLE molecular structure lightbox
CAS RN: 227197-72-0

6-CHLORO-BENZOXAZOLE

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250302 1g In stock Inquiry
Batchno.20260108 200mg In stock Inquiry
Batchno.20251222 25g Out of stock Inquiry
Batchno.20260512 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250616 200mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250724 100mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260606 1g In stock Wuhan, Chengdu Inquiry
Batchno.20250522 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250919 5g In stock Shanghai Inquiry
  • Product code: SSC-110796
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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: 5g
  • Available purity: ≥95%
  • 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 227197-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

227197-72-0 / 1-chloro-4-isocyanatobenzene

Standard CAS: 227197-72-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
227197-72-0
Multi CAS
No
Molecular Formula
C7H4ClNO
Molecular Weight
153.560000
Exact Mass
152.998141
SMILES
C1=CC(=CC=C1N=C=O)Cl
InChI
InChI=1S/C7H4ClNO/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
InChIKey
JJOOKXUUVWIARB-UHFFFAOYSA-N

Physical Properties

Melting Point
31.3 °C
Boiling Point
204 °C BP: 116 °C at 45 mm Hg
Density
Density: 1.25 g/cu cm at 40 °C
Physical Description
P-chlorophenyl isocyanate appears as colorless to yellow liquid or crystals. Used as an intermediate in pesticide and pharmaceutical manufacture. Colorless to yellow liquid or white solid; [Hawley] White crystalline solid; mp = 29-31 deg C
Appearance
Colorless to slightly yellow liquid or crystals White solid or crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.23
TPSA
29.43

LogP / Solubility

WLOGP
2.31
MLOGP
2.02
XLogP3
3.3
Consensus LogP
2.54
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.02

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

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