CAS No.2032-34-0,3,3-Diethoxypropionitrile Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2032-34-0
Name:	3,3-Diethoxypropionitrile
Article Data:	13

Formula:	C₇H₁₃NO₂
Molecular Weight:	143.186
Synonyms:	Acetaldehyde,cyano-, diethyl acetal (6CI,7CI,8CI);Cyanoacetaldehyde diethylacetal;Malonaldehydenitrile diethyl acetal;
EINECS:	217-988-6
Density:	0.951 g/cm³
Melting Point:	82-84 °C
Boiling Point:	235.17 °C at 760 mmHg
Flash Point:	83.889 °C
Appearance:	Clear yellow to brownish liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
Transport Information:	UN 3275
PSA:	42.25000
LogP:	1.29918

Synthetic route

: 288-14-2
ISOXAZOLE

: 64-67-5
diethyl sulfate

A: 61310-53-0
3-ethoxyacrylonitrile

B: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

Conditions

Conditions	Yield
With sodium hydroxide; ethanol

...Expand

: 1070-71-9
propiolonitrile

: 141-52-6
sodium ethanolate

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

Conditions

Conditions	Yield
With ethanol

: 61310-53-0
3-ethoxyacrylonitrile

: 141-52-6
sodium ethanolate

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 41365-74-6
3,3-diethoxypropionic amide

A: 61310-53-0
3-ethoxyacrylonitrile

B: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

Conditions

Conditions	Yield
With phosphorus pentoxide; triethylamine; benzene

: 151-50-8
potassium cyanide

: 2032-35-1
Bromoacetaldehyde diethyl acetal

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

Conditions

Conditions	Yield
With ethanol; sodium iodide

: 141-52-6
sodium ethanolate

: 871-29-4, 3721-37-7, 3721-38-8
trans-β-chloroacrylonitrile

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

Conditions

Conditions	Yield
In ethanol

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 1222172-49-7
methyl 5-acetamido-2-amino-4-ethoxybenzoate

: 1222172-50-0
methyl 5-acetamido-2-[(2-cyanovinyl)amino]-4-ethoxybenzoate

Conditions

Conditions	Yield
Stage #1: 3,3-bis(ethyloxy)propanenitrile With water; trifluoroacetic acid at 20℃; for 12h; Stage #2: methyl 5-acetamido-2-amino-4-ethoxybenzoate In ethyl acetate at 20℃; Product distribution / selectivity;	96%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 1222172-51-1
ethyl 5-acetamido-2-amino-4-ethoxybenzoate

: 1222172-52-2
ethyl 2-[(2-cyanovinyl)amino]-4-ethoxy-5-acetylamidobenzoate

Conditions

Conditions	Yield
Stage #1: 3,3-bis(ethyloxy)propanenitrile With water; trifluoroacetic acid at 20℃; for 9h; Stage #2: ethyl 5-acetamido-2-amino-4-ethoxybenzoate In ethyl acetate at 20℃; for 12h;	90.6%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 1260243-04-6, 6994-25-8
ethyl 5-amino-1H-pyrazole-4-carboxylate

: ethyl 7-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane Reflux;	88%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 74-86-2
acetylene

: 91340-40-8
2-(2,2-diethoxyethyl)pyridine

Conditions

Conditions	Yield
(η5-cyclopentadienyl)-η4-cycloocta-1,5-dienecobalt(I) In toluene at 25℃; for 4h; Irradiation;	87%

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Specification

The Propanenitrile,3,3-diethoxy-, with the CAS registry number 2032-34-0, is also known as 1,1-Diethoxy-2-cyanoethane. It belongs to the product categories of C6 to C7; Cyanides/Nitriles; Nitrogen Compounds. Its EINECS registry number is 217-988-6. This chemical's molecular formula is C₇H₁₃NO₂ and molecular weight is 143.18. What's more, both its IUPAC name and systematic name are the same which is called 3,3-Diethoxypropanenitrile. It should be stored in a cool, dry and well-ventilated place.

Physical properties about Propanenitrile,3,3-diethoxy- are: (1)ACD/LogP: 1.078; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.89; (6)ACD/BCF (pH 7.4): 3.89; (7)ACD/KOC (pH 5.5): 91.96; (8)ACD/KOC (pH 7.4): 91.96; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 42.25 Å²; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 37.842 cm³; (15)Molar Volume: 150.567 cm³; (16)Polarizability: 15.002×10^-24cm³; (17)Surface Tension: 31.133 dyne/cm; (18)Density: 0.951 g/cm³; (19)Flash Point: 83.889 °C; (20)Enthalpy of Vaporization: 47.193 kJ/mol; (21)Boiling Point: 235.17 °C at 760 mmHg; (22)Vapour Pressure: 0.051 mmHg at 25 °C.

Uses of Propanenitrile,3,3-diethoxy-: it is used to produce other chemicals. For example, it can react with 4-(4,5-dimethyl-1,3-dithiol-2-ylidene)but-2-enal to get 6-(4,5-dimethyl-[1,3]dithiol-2-ylidene)-2-formyl-hexa-2,4-dienenitrile. This reaction needs reagent NaOMe and solvent tetrahydrofuran at ambient temperature. The reaction time is 3 days. The yield is 69 %.

Propanenitrile,3,3-diethoxy- can react with 4-(4,5-dimethyl-1,3-dithiol-2-ylidene)but-2-enal to get 6-(4,5-dimethyl-[1,3]dithiol-2-ylidene)-2-formyl-hexa-2,4-dienenitrile.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCC(OCC)OCC
(2) InChI: InChI=1S/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H3
(3) InChIKey: WBOXEOCWOCJQNK-UHFFFAOYSA-N