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CAS 3173-56-6 Benzyl Isocyanate molecular structure lightbox
CAS RN: 3173-56-6

Benzyl Isocyanate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 100g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250602 25g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20250307 500g In stock Shanghai Inquiry
Batchno.20250614 5g In stock Shanghai, Guangdong, Chongqing Inquiry
  • Product code: SSC-137142
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3173-56-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 5 In Stock Shanghai Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g >98% 4 In Stock Shenzhen Inquiry
500g >98% 4 In Stock Hong Kong Inquiry

3173-56-6 / isocyanatomethylbenzene

Standard CAS: 3173-56-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3173-56-6
Multi CAS
Yes
Molecular Formula
C8H7NO
Molecular Weight
133.150000
Exact Mass
133.052764
InChI
InChI=1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey
YDNLNVZZTACNJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.27
TPSA
29.43

LogP / Solubility

WLOGP
1.52
MLOGP
1.33
XLogP3
2.6
Consensus LogP
1.82
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.45

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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