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CAS 9016-87-9 Polymethylene polyphenyl polyisocyanate molecular structure lightbox
CAS RN: 9016-87-9

Polymethylene polyphenyl polyisocyanate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250411 5g / 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shandong, Hebei, Shanghai, Guangdong, Chongqing Inquiry
  • Product code: SSC-202654
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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: 10g, 100g, 25g
  • Available purity: --
  • Inventory rows with stock: 6
  • 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 9016-87-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g -- 2 In Stock Hong Kong Inquiry
10g -- 2 In Stock Shanghai Inquiry
100g -- 2 In Stock Beijing Inquiry
100g -- 2 In Stock Hong Kong Inquiry
25g -- 1 In Stock Beijing Inquiry
25g -- 1 In Stock Shenzhen Inquiry

9016-87-9 / formaldehyde;isocyanatobenzene

Standard CAS: 9016-87-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
9016-87-9
Multi CAS
Yes
Molecular Formula
C8H7NO2
Molecular Weight
149.150000
Exact Mass
149.047678
InChI
InChI=1S/C7H5NO.CH2O/c9-6-8-7-4-2-1-3-5-7;1-2/h1-5H;1H2
InChIKey
JTEOXXUIKUHXLD-UHFFFAOYSA-N

Physical Properties

Boiling Point
392 °F at 760 mmHg (USCG, 1999)
Density
1.2 at 68 °F (USCG, 1999) - Denser than water; will sink 1.2 @ 20 °C/20 °C
Physical Description
Polymeric diphenylmethane diisocyanate is a dark-brown liquid with a weak odor. Sinks in water. (USCG, 1999) Dark amber viscous liquid; [HSDB]
Appearance
DARK-AMBER VISCOUS LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
41.34
TPSA
46.5

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
1.47
Consensus LogP
1.41
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-2.59

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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