CAS No.1070-71-9,Cyanoacetylene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1070-71-9
Name:	Cyanoacetylene
Article Data:	42

Formula:	C₃HN
Molecular Weight:	51.0476
Synonyms:	Propiolonitrile(6CI,8CI);2-Propynenitrile (9CI);Monocyanoacetylene;Propynenitrile;
Density:	0.925 g/cm³
Melting Point:	5℃
Boiling Point:	42.5 °C at 760 mmHg
Flash Point:	-30.497 °C
Solubility:	Soluble in ethanol, insoluble in water
PSA:	23.79000
LogP:	0.14318

Synthetic route

: 79-05-0
Propionamid

: 1070-71-9
propiolonitrile

Conditions

Conditions	Yield
With phosphorus pentoxide; silica gel at 140℃; for 1h;	97%

: 7341-96-0
2-propynamide

: 1070-71-9
propiolonitrile

Conditions

Conditions	Yield
With phosphorus pentaoxide	85%
With phosphorus pentoxide at 180℃;	70%
With phosphorus pentoxide at 120℃;	61%

: 19158-51-1
P-toluenesulfonyl cyanide

: 994-89-8
tributylethynyltin

: 1070-71-9
propiolonitrile

Conditions

Conditions	Yield
	37%

: 543-21-5
Cellocidin

A: 1070-71-9
propiolonitrile

B: 1071-98-3
2-butynedinitrile

Conditions

Conditions	Yield
With phosphorus pentoxide at 100 - 370℃; self-propagating stationary heat wave mode;	A n/a B 33%

: 101342-39-6
2-amino-4-phenyl-4H-pyran-3,5-dicarbonitrile

A: 1070-71-9
propiolonitrile

B: 709-79-5, 148238-27-1, 15795-18-3
(E)-2-cyano-3-phenylacrylamide

C: 1,3-Dicyano-4-phenyl-cyclobut-2-enecarboxylic acid amide

Conditions

Conditions	Yield
In dichloromethane for 1h; Irradiation;	A 22% B 17% C 23%

...Expand

: 109-06-8
α-picoline

A: 34557-54-5
methane

B: 74-90-8
hydrogen cyanide

C: 1070-71-9
propiolonitrile

D: 20830-58-4
1,3-cyclopentadiene-1-carbonitrile

E: 74-86-2
acetylene

Conditions

Conditions	Yield
In gas at 1350 - 1500℃; under 10640 - 12160 Torr; Mechanism; Product distribution; single-pulse shock tube experiments;

...Expand

: 460-12-8
Butadiyne

: 1070-71-9
cyanoacetylene cation radical

A: 1070-71-9
propiolonitrile

B: 460-12-8
diacetylene radical cation

C: 3161-99-7
Hexa-1,3,5-triyne

D: Buta-1,3-diyne; compound with buta-1,3-diyne

Conditions

Conditions	Yield
In various solvent(s) at 23.9℃; under 0.3 Torr; Product distribution; Rate constant; in a Selected-Ion Flow Tube (SIFT) apparatus;

...Expand

: 7129-66-0
3,4-Didehydropyridine

A: 460-12-8
Butadiyne

B: 1070-71-9
propiolonitrile

C: 74-86-2
acetylene

Conditions

Conditions	Yield
at -260.2℃; for 0.5h; Irradiation; photolysis, λ>210 nm;

...Expand

: 100312-97-8
C3(3)HN

: 1070-71-9
propiolonitrile

Conditions

Conditions	Yield
With amine buffer; water at 25℃; Rate constant; μ = 0.10 M;

: 107-13-1
acrylonitrile

A: 1070-71-9
propiolonitrile

B: C2H2*CHN

Conditions

Conditions	Yield
In gas Product distribution; Irradiation;

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Specification

The Cyanoacetylene, with the CAS registry number 1070-71-9, is also known as Propynenitrile. It belongs to the product category of Pharmaceutical Intermediates. This chemical's molecular formula is C₃HN and molecular weight is 51.05. What's more, its IUPAC name is prop-2-ynenitrile. It is sensitive to air and light. It is used as pharmaceutical intermediates. It is the simplest cyanopolyyne. It has been detected by spectroscopic methods in interstellar clouds and in the atmosphere of Saturn's moon Titan. It is one of the molecules that was produced in the Miller-Urey experiment.

Physical properties of Cyanoacetylene are: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.66; (4)ACD/BCF (pH 5.5): 1.87; (5)ACD/KOC (pH 5.5): 54.5; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 23.79 Å²; (10)Index of Refraction: 1.41; (11)Molar Refractivity: 13.68 cm³; (12)Molar Volume: 55.2 cm³; (13)Surface Tension: 39.9 dyne/cm; (14)Density: 0.924 g/cm³; (15)Enthalpy of Vaporization: 28.67 kJ/mol; (16)Boiling Point: 42.5 °C at 760 mmHg; (17)Vapour Pressure: 391 mmHg at 25°C.

Preparation: this chemical can be prepared by propynoic acid amide at the temperature of 180 °C. This reaction will need reagent P₂O₅. The yield is about 70%.

Uses of Cyanoacetylene: it can be used to produce 2-cyanonorbornadiene at the ambient temperature. It will need solvent CH₂Cl₂ with the reaction time of 12 hours. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C#CC#N
(2)InChI: InChI=1S/C3HN/c1-2-3-4/h1H
(3)InChIKey: LNDJVIYUJOJFSO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LDLo	subcutaneous	48mg/kg (48mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 152, Pg. 1707, 1911.
rabbit	LDLo	intravenous	15mg/kg (15mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 152, Pg. 1707, 1911.