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CAS 131-91-9 1-Nitroso-2-naphthol molecular structure lightbox
CAS RN: 131-91-9

1-Nitroso-2-naphthol

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251222 100g In stock Shanghai, Shandong Inquiry
Batchno.20260104 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250922 500g Out of stock 5-7 business days Inquiry
Batchno.20250417 5g In stock Shanghai Inquiry
  • Product code: ICTN0266
  • Purity/Analytical Methods: >98.0%(GC)(T)
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131-91-9 / 1-nitrosonaphthalen-2-ol

Standard CAS: 131-91-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
131-91-9
Multi CAS
No
Molecular Formula
C10H7NO2
Molecular Weight
173.170000
Exact Mass
173.047678
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=O)O
InChI
InChI=1S/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H
InChIKey
YXAOOTNFFAQIPZ-UHFFFAOYSA-N

Physical Properties

Physical Description
Yellowish-brown solid; [Merck Index] Brown powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.07
TPSA
49.66

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
2.3
Consensus LogP
2.61
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (93.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (12.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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