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CAS 119-39-1 Phthalazone molecular structure lightbox
CAS RN: 119-39-1

Phthalazone

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251203 100g In stock Inquiry
Batchno.20260304 25g In stock Inquiry
Batchno.20250122 500g In stock Inquiry
Batchno.20260520 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250211 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260601 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260225 500g In stock Shanghai Inquiry
  • Product code: SSC-019232
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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: 10g, 25g, 100g
  • 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 119-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

119-39-1 / 2H-phthalazin-1-one

1(2H)-PHTHALAZINONE | Phthalazin-1(2H)-one | Phthalazone

Standard CAS: 119-39-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
119-39-1
Multi CAS
Yes
Molecular Formula
C8H6N2O
Molecular Weight
146.150000
Exact Mass
146.048013
SMILES
C1=CC=C2C(=C1)C=NNC2=O
InChI
InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)
InChIKey
IJAPPYDYQCXOEF-UHFFFAOYSA-N
Synonyms
1(2H)-PHTHALAZINONE Phthalazin-1(2H)-one Phthalazone Phthalazin-1-one 1-Phthalazinol

Physical Properties

Melting Point
361 to 363 °F (NTP, 1992)
Boiling Point
639 °F at 760 mmHg (NTP, 1992)
Physical Description
1-(2h)-phthalazinone appears as pale yellow crystals. Insoluble in water. (NTP, 1992) Pale yellow solid; [CAMEO] Beige crystalline solid
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.36
TPSA
45.75

LogP / Solubility

WLOGP
0.92
MLOGP
0.81
XLogP3
0.8
Consensus LogP
0.84
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-2.96

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
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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