Basic information
- Name:
Cyanamide, N-cyano-,sodium salt (1:1)
- Superlist Name:
- Sodium dicyanamide
- CAS No.:
1934-75-4
- Molecular Structure:
- Formula:
- C2HN3. Na
- Molecular Weight:
- 89.03
- Deleted CAS:
- 4615-74-1
- 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:
Xi, 
Xn- Risk Codes:
- 22-36/37/38
- Safety Description:
- 26-36-37/39 Details
- Transport Information:
- UN 3077
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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%.
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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