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1934-75-4

Basic Information
CAS No.: 1934-75-4
Name: Sodium dicyanamide
Article Data: 17
Molecular Structure:
Molecular Structure of 1934-75-4 (Sodium dicyanamide)
Formula: C2HN3. Na
Molecular Weight: 89.0319
Synonyms: Cyanamide,cyano-, sodium salt (9CI);Dicyanamide, sodium salt (8CI);Sodium dicyanamide(6CI,7CI);
EINECS: 217-703-5
Melting Point: 300 °C
Boiling Point: 41.5 °C at 760 mmHg
Flash Point: 8.5 °C
Solubility: 260 g/L (30 °C) in water
Appearance: White to off-white powder
Hazard Symbols: IrritantXi, HarmfulXn
Risk Codes: 22-36/37/38
Safety: 26-36-37/39
Transport Information: UN 3077
PSA: 50.82000
LogP: -0.28514
Synthetic route
420-04-2

CYANAMID

506-77-4

cyanogen chloride

A

76989-89-4

sodium N-cyanoisourea

B

1934-75-4

sodium dicyanamide

C

7647-14-5

sodium chloride

Conditions
ConditionsYield
With sodium hydroxide In water at 70 - 75℃; under 1050.11 Torr; pH=7.2 - 8.0; Purification / work up;A n/a
B 94%
C n/a
420-04-2

CYANAMID

506-77-4

cyanogen chloride

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
With sodium hydroxide In water at 50 - 55℃; under 1050.11 Torr; pH=7.2 - 8.0;87%
With sodium hydroxide In water at 70 - 75℃; under 1050.11 Torr; pH=7.2 - 8.0; Product distribution / selectivity;83%
With sodium hydroxide In water at 70 - 75℃; under 1050.11 Torr; pH=7.2 - 8.0; Product distribution / selectivity;82%
With sodium hydroxide In water at 50 - 55℃; under 1050.11 Torr; pH=7.2 - 8.0; Product distribution / selectivity;79%
With sodium hydroxide In water at 70 - 75℃; for 1.58333h; pH=7.5 - 8.0;76%
506-68-3

bromocyane

420-04-2

CYANAMID

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
Stage #1: CYANAMID With sodium In ethanol at 20℃; for 1.5h;
Stage #2: bromocyane In ethanol for 2.5h;
72%
506-68-3

bromocyane

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
With water
506-68-3

bromocyane

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
With sodium amide in der Kugelmuehle;
sodium salt of O-ethyl-N-cyano-isourea

sodium salt of O-ethyl-N-cyano-isourea

1934-75-4

sodium dicyanamide

506-77-4

cyanogen chloride

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
With sodium amide In not given byproducts: NH3, NaCl; at room temp., in ball mill;

sodium amide

506-77-4

cyanogen chloride

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
byproducts: NH3, NaCl; in ball mill; reactn. complete after 60 h at room temp.;
byproducts: NH3, NaCl; in ball mill; reactn. complete after 60 h at room temp.;

sodium amide

506-77-4

cyanogen chloride

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
In neat (no solvent) constantly grinding in ball mill at ambient temp., 60h; complete exclusion of air;;
In neat (no solvent) constantly grinding in ball mill at ambient temp., 60h; complete exclusion of air;;
20611-81-8

disodium cyanamide

1934-75-4

sodium dicyanamide

Conditions
ConditionsYield
With NCBr In neat (no solvent) grinding in ball mill;;
With NCBr In neat (no solvent) grinding in ball mill;;
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    1934-75-4

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    Product name: Sodium Dicyanamide CAS No.:1934-75-4 Molecule Formula:C2N3Na Molecule Weight:89.03 Purity: 98.0% Package: 25kg/drum Description:White to almost white crystalline powder Manufacture Standards:Enterprise Standard

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Specification

The Sodium dicyanamide, with the CAS registry number 1934-75-4, is a kind of white to off-white powder, with the product categories including C-X Bond Formation (Non-Halogen); Others; Synthetic Reagents; Hydrocyanic acid derivatives; Various hydrocyanic acid derivatives.

The physical properties of this chemical are as below: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1.26; (6)ACD/BCF (pH 7.4): 1.26; (7)ACD/KOC (pH 5.5): 41; (8)ACD/KOC (pH 7.4): 41; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 60; (13)Flash Point: 8.5 °C; (14)Enthalpy of Vaporization: 28.58 kJ/mol; (15)Boiling Point: 41.5 °C at 760 mmHg; (16)Vapour Pressure: 407 mmHg at 25°C; (17)Exact Mass: 88.998992; (18)MonoIsotopic Mass: 88.998992; (19)Topological Polar Surface Area: 48.6; (20)Heavy Atom Count: 6; (21)Complexity: 86.5.

Use of this chemical is below: Sodium dicyanamide could react with 4-fluoro-aniline; hydrochloride to produce 2-Cyan-1-(4-fluorphenyl)guanidin. This reaction could happen in the presence of the solvent of H2O, and it needs the reaction temperature of 60 ℃ with its yield of 67%.

When you deal with this chemical, you should be careful. For one thing, it is irritant to eyes, respiratory system and skin, which may also cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health. Wear suitable gloves and eye/face protection and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(#N)[N-]C#N.[Na+]
(2)InChI: InChI=1S/C2N3.Na/c3-1-5-2-4;/q-1;+1
(3)InChIKey: IXBPPZBJIFNGJJ-UHFFFAOYSA-N