Name: 1(2H)-Phthalazinone
SKU: 119-39-1

Products Categories

Pharmaceutical (93)
Organic Chemicals (30)
Others (22)
Reagent (5)
Materials (2)
Plant Extract (1)

Basic Information

Molecular Structure:
CAS No.:	119-39-1
Name:	1(2H)-Phthalazinone
Article Data:	69

Formula:	C₈H₆N₂O
Molecular Weight:	146.148
Synonyms:	1-Hydroxyphthalazine;1-Oxophthalazine;1-Phthalazinol;ICX 56225770;NSC 10432;Phthalazin-1-one;Phthalazinone;Phthalazone;Benzo[d]pyridazin-1(2H)one;
EINECS:	204-319-8
Density:	1.318 g/cm³
Melting Point:	183-185 °C
Boiling Point:	423.4 °C at 760 mmHg
Flash Point:	209.9 °C
Solubility:	In soluble in water
Appearance:	Off-white to pale yellow crystalline powder
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38-68
Safety:	22-24/25-36/37/39-26
PSA:	45.75000
LogP:	0.92310

Synthetic route

: 119-67-5
o-carboxybenzaldehyde

: 119-39-1
phthalazone

Conditions

Conditions	Yield
With sodium acetate; hydrazinium sulfate In water	100%
With tert-butylbenzene; hydrogen; platinum; hydrazine In 1,4-dioxane at 80℃; under 750.075 Torr; for 0.5h; Sealed tube;	99%
With hydrazine at 95℃; for 0.666667h; Large scale;	96.36%

: 62551-42-2
2-dibromomethyl-benzoic acid

: 119-39-1
phthalazone

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol	88%

: 65349-12-4
2-((2-benzoylhydrazono)methyl)benzoic acid

A: 119-39-1
phthalazone

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With tin(ll) chloride In 1,4-dioxane for 15h; Reflux;	A 84% B 77%

: 55294-87-6
N-2-(3'-phthalide-yl)phthalazin-1-one

: 119-39-1
phthalazone

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol for 2h; hydrazinolysis; Heating;	73.2%

: 201230-82-2
carbon monoxide

: 19820-56-5
2-formylphenyl tosylate

: 119-39-1
phthalazone

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; t-butoxycarbonylhydrazine; 1,3-bis-(diphenylphosphino)propane; magnesium sulfate; potassium carbonate In acetonitrile at 140℃; under 7500.75 Torr; for 21h; Autoclave;	68%

: 97694-83-2
2,3-Dihydro-9bH-oxazolo[2,3-a]isoindol-5-one

: 119-39-1
phthalazone

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol for 50h; Heating;	48%

: 6940-49-4
3-Bromophthalide

: 119-39-1
phthalazone

Conditions

Conditions	Yield
Stage #1: 3-Bromophthalide With hydrogenchloride In water for 2h; Reflux; Stage #2: With hydrazine In water at 20℃; for 2h;	47%
With ethanol; hydrazine hydrate
Multi-step reaction with 2 steps 1: benzene; ammonia 2: aqueous N2H4 View Scheme

: 253-52-1
PHTHALAZINE

: 119-39-1
phthalazone

Conditions

Conditions	Yield
With benzonitrile oxide In benzene for 3h; Heating;	45%
Stage #1: PHTHALAZINE With aldehyde oxidase In aq. phosphate buffer for 0.166667h; pH=7.4; Stage #2: In dimethyl sulfoxide Solvent; Enzymatic reaction;
With human aldehyde oxidase isoform 1 In aq. buffer at 37℃; for 0.0833333h; pH=7.4; Kinetics; Reagent/catalyst;

: 480-91-1
oxisoindole

: 119-39-1
phthalazone

Conditions

Conditions	Yield
With hydrazine hydrate at 200℃;

: 5784-45-2
1-chlorophthalazine

: 119-39-1
phthalazone

Conditions

Conditions	Yield
With sodium hydroxide
With hydrogenchloride

Raw Materials

574-98-1

119-67-5

Downstream Products

496-12-8

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:119 Page 1 of 4 1 2 3 4 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 119-39-1

Consensus Reports

Reported in EPA TSCA Inventory.

Specification

1(2H)-Phthalazinone is an organic compound with the formula C₈H₆N₂O, and its systematic name is the same with the product name. With the CAS registry number 119-39-1, it is also named as Benzo[d]pyridazin-1(2H)one. It belongs to the product categories of Miscellaneous; Aldehyde. Its EINECS number is 204-319-8. In addition, the molecular weight is 146.15. This chemical is used as biochemical reagents. Its classification code is Mutation data. It can be used as Hydralazine hydrochloride intermediate.

Physical properties of 1(2H)-Phthalazinone are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.19; (6)ACD/BCF (pH 7.4): 2.19; (7)ACD/KOC (pH 5.5): 60.95; (8)ACD/KOC (pH 7.4): 60.95; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.46 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 41.272 cm³; (15)Molar Volume: 110.881 cm³; (16)Polarizability: 16.362×10^-24cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.318 g/cm³; (19)Flash Point: 209.9 °C; (20)Enthalpy of Vaporization: 70.39 kJ/mol; (21)Boiling Point: 423.4 °C at 760 mmHg; (22)Vapour Pressure: 9.11E-08 mmHg at 25°C.

Preparation of 1(2H)-Phthalazinone: this chemical can be prepared by 2-formyl-benzoic acid. This reaction will need reagents hydrazine sulfate, sodium acetate and solvent H₂O. The yield is about 100%.

1(2H)-Phthalazinone can be prepared by 2-formyl-benzoic acid

Uses of 1(2H)-Phthalazinone: it can be used to produce 1-bromo-phthalazine at the temperature of 130 °C. It will need reagent POBr₃ with the reaction time of 30 min. The yield is about 58%.

1(2H)-Phthalazinone can be used to produce 1-bromo-phthalazine at the temperature of 130 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful if swallowed. It has a possible risk of irreversible effects. You should not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection, and you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2ccccc2\C=N/N1
(2)Std. InChI: InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)
(3)Std. InChIKey: IJAPPYDYQCXOEF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	180mg/kg (180mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00139,
rat	LD50	oral	370mg/kg (370mg/kg)		Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.