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CAS 625-48-9 2-Nitroethanol molecular structure lightbox
CAS RN: 625-48-9

2-Nitroethanol

  • Product code: SSC-171676
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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: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 625-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

625-48-9 / 2-nitroethanol

Standard CAS: 625-48-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
625-48-9
Multi CAS
No
Molecular Formula
C2H5NO3
Molecular Weight
91.070000
Exact Mass
91.026943
InChI
InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2
InChIKey
KIPMDPDAFINLIV-UHFFFAOYSA-N

Physical Properties

Melting Point
-112 °F (NTP, 1992)
Boiling Point
381 °F at 765 mmHg (NTP, 1992)
Density
1.27 at 59 °F (NTP, 1992) - Denser than water; will sink
Physical Description
Mobile dark brown-red liquid with a pungent odor. (NTP, 1992)
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
18.95
TPSA
63.37

LogP / Solubility

WLOGP
-0.74
MLOGP
-0.67
XLogP3
-0.4
Consensus LogP
-0.6
Log S (ESOL)
0.2
Class (ESOL)
Highly soluble
Log S (Ali)
0.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.13
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.8

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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