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CAS 5153-67-3 trans-β-Nitrostyrene molecular structure lightbox
CAS RN: 5153-67-3

trans-β-Nitrostyrene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250304 5g / 25g / 100g Confirm by inquiry Shanghai, Hebei, Shandong Inquiry
  • Product code: SSC-158427
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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: 1g, 5g, 10g, 25g
  • Available purity: ≥98%
  • 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 5153-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

5153-67-3 / 2-nitroethenylbenzene

Standard CAS: 5153-67-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5153-67-3
Multi CAS
Yes
Molecular Formula
C8H7NO2
Molecular Weight
149.150000
Exact Mass
149.047678
InChI
InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H
InChIKey
PIAOLBVUVDXHHL-UHFFFAOYSA-N

Physical Properties

Melting Point
136 °F (NTP, 1992) 58 °C
Boiling Point
482 to 500 °F at 760 mmHg (NTP, 1992) 255 °C /trans-isomer/
Density
1.1552 at 90 °F (NTP, 1992) - Denser than water; will sink Density: 1.1552 at 90 °F
Physical Description
Beta-nitrostyrene appears as yellow prisms (from ethanol) or yellow crystalline solid. (NTP, 1992) Yellow crystals; [CAMEO]
Appearance
Yellow prisms (from ethanol or petr ether) /trans-isomer/ Yellow crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.47
TPSA
43.14

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
2.1
Consensus LogP
1.91
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.26

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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