2-Benzyl-4,5-dichloropyridazine-3(2H)-one

Modify Date: 2024-01-20 19:09:49

2-Benzyl-4,5-dichloropyridazine-3(2H)-one Structure
2-Benzyl-4,5-dichloropyridazine-3(2H)-one structure
Common Name 2-Benzyl-4,5-dichloropyridazine-3(2H)-one
CAS Number 41933-33-9 Molecular Weight 255.10000
Density 1.38g/cm3 Boiling Point 338ºC at 760 mmHg
Molecular Formula C11H8Cl2N2O Melting Point 87ºC
MSDS N/A Flash Point 158.2ºC

 Use of 2-Benzyl-4,5-dichloropyridazine-3(2H)-one


EcDsbB-IN-9 (Compound 9) is a potent E. coli DsbB (EcDsbB) inhibitor with an IC50 of 1.7 μM and a Ki of 46 nM[1].

 Names

Name 2-Benzyl-4,5-dichloropyridazin-3(2H)-one
Synonym More Synonyms

  Biological Activity

Description EcDsbB-IN-9 (Compound 9) is a potent E. coli DsbB (EcDsbB) inhibitor with an IC50 of 1.7 μM and a Ki of 46 nM[1].
Related Catalog
Target

IC50: 1.7 μM (EcDsbB)[1] Ki: 46 nM (EcDsbB)[1]

In Vitro EcDsbB-IN-9 (Compound 9) (0-100 μM) causes accumulation of reduced DsbA (EcDsbB substrate) and inhibits oxidation of DsbA with an IC50 of 8.5 ± 0.6 μM[1].

 Chemical & Physical Properties

Density 1.38g/cm3
Boiling Point 338ºC at 760 mmHg
Melting Point 87ºC
Molecular Formula C11H8Cl2N2O
Molecular Weight 255.10000
Flash Point 158.2ºC
Exact Mass 254.00100
PSA 34.89000
LogP 2.59840
Index of Refraction 1.626

 MSDS

Name: 2-Benzyl-4 5-dichloro-2 3-dihydropyridazin-3-one 97% Material Safety Data Sheet
Synonym: 2-Benzyl-4,5-dichloropyridazine-3(2H)-on
CAS: 41933-33-9
Section 1 - Chemical Product MSDS Name:2-Benzyl-4 5-dichloro-2 3-dihydropyridazin-3-one 97% Material Safety Data Sheet
Synonym:2-Benzyl-4,5-dichloropyridazine-3(2H)-on

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
41933-33-9 2-Benzyl-4,5-dichloro-2,3-dihydropyrid 97% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 41933-33-9: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 87 - 89 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H8Cl2N2O
Molecular Weight: 255

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 41933-33-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 41933-33-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 41933-33-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 41933-33-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S37/39
HS Code 2933990090

 Synthetic Route

~95%

2-Benzyl-4,5-dichloropyridazine-3(2H)-one Structure

2-Benzyl-4,5-di...

CAS#:41933-33-9

Literature: Ewing, William R.; Zhu, Yeheng; Ellsworth, Bruce A. Patent: US2006/287323 A1, 2006 ; Location in patent: Page/Page column 12 ; US 20060287323 A1

~92%

2-Benzyl-4,5-dichloropyridazine-3(2H)-one Structure

2-Benzyl-4,5-di...

CAS#:41933-33-9

Literature: Cho, Su-Dong; Kweon, Deok-Heon; Kang, Young-Jin; Chung, Hyun-A.; Yoon, Yong-Jin Journal of Heterocyclic Chemistry, 1998 , vol. 35, # 3 p. 601 - 605

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2-benzyl-4,5-dichloropyridazin-3-one