Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Propanedinitrile,2-[(4-hydroxyphenyl)methylene]-

Related Products

Hot Products

Name

Propanedinitrile,2-[(4-hydroxyphenyl)methylene]-

EINECS 223-253-0
CAS No. 3785-90-8 Density 1.29 g/cm3
PSA 67.81000 LogP 1.82276
Solubility ethanol: 20 mg/mL, clear Melting Point 186-189 °C
Formula C10H6N2O Boiling Point 354.3 °C at 760 mmHg
Molecular Weight 170.17 Flash Point 168.1 °C
Transport Information N/A Appearance Yellow solid
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 3785-90-8 (4-HYDROXYBENZYLIDENEMALONONITRILE) Hazard Symbols ToxicT
Synonyms

Malononitrile,(p-hydroxybenzylidene)- (7CI,8CI);Propanedinitrile,[(4-hydroxyphenyl)methylene]- (9CI);2-(4-Hydroxybenzylidene)malononitrile;2-[(4-Hydroxyphenyl)methylene]malononitrile;4-Hydroxybenzylidenemalononitrile;NSC 1345;Tyrphostin 8;Tyrphostin A 8;Tyrphostin AG 10;[(4-Hydroxyphenyl)methylene]propanedinitrile;p-Hydroxybenzylidenemalononitrile;

Article Data 119

Propanedinitrile,2-[(4-hydroxyphenyl)methylene]- Specification

The CAS registry number of Propanedinitrile,2-[(4-hydroxyphenyl)methylene]- is 3785-90-8. This chemical is also named as (4-Hydroxybenzylidene)propanedinitrile. Its EINECS registry number is 223-253-0. In addition, its molecular formula is C10H6N2O and molecular weight is 170.17. Its IUPAC name is called 2-[(4-hydroxyphenyl)methylidene]propanedinitrile.

Physical properties about Propanedinitrile,2-[(4-hydroxyphenyl)methylene]- are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 7.19; (6)ACD/BCF (pH 7.4): 3.53; (7)ACD/KOC (pH 5.5): 142.29; (8)ACD/KOC (pH 7.4): 69.83; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 48.32 cm3; (14)Molar Volume: 131.9 cm3; (15)Surface Tension: 67.2 dyne/cm; (16)Density: 1.29 g/cm3; (17)Flash Point: 168.1 °C; (18)Enthalpy of Vaporization: 62.29 kJ/mol; (19)Boiling Point: 354.3 °C at 760 mmHg.

Preparation: this chemical can be prepared by 4-hydroxy-benzaldehyde and malononitrile. This reaction is a kind of Knoevenagel reaction. This reaction will need reagent piperazine-amberlite(R) 200 H resin and solvent ethanol. The reaction time is 30 mins with reaction temperature of 20 °C. The yield is about 90 %.

Propanedinitrile,2-[(4-hydroxyphenyl)methylene]- can be prepared by 4-hydroxy-benzaldehyde and malononitrile

Uses of Propanedinitrile,2-[(4-hydroxyphenyl)methylene]-: it can be used to produce (4-hydroxy-benzyl)-malononitrile. It will need reagent NaBH4. The yield is about 59 %.

Propanedinitrile,2-[(4-hydroxyphenyl)methylene]- can be used to produce (4-hydroxy-benzyl)-malononitrile

When you are using this chemical, please be cautious about it as the following:
This chemical at low levels can cause damage to health. It is toxic if swallowed. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: N#C/C(C#N)=C\c1ccc(O)cc1
(2)InChI: InChI=1/C10H6N2O/c11-6-9(7-12)5-8-1-3-10(13)4-2-8/h1-5,13H
(3)InChIKey: FNCOVSWSZZVFBQ-UHFFFAOYAN

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 65mg/kg (65mg/kg)   Nature. Vol. 228, Pg. 1315, 1970.
Link to PubMed
rat LDLo unreported 100mg/kg (100mg/kg)   Biochemical Pharmacology. Vol. 14, Pg. 1325, 1965.
Link to PubMed

Post a RFQ

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)

1

What can I do for you?
Get Best Price

Get Best Price for 3785-90-8