3D Mol Similar

YTTRIUM NITRIDE

Iupac Name：azanylidyneyttrium

CAS No.: 25764-13-0

Molecular Weight：102.91255

Modify Date.: 2023-02-10 21:40

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1. Names and Identifiers

1.1 Name: YTTRIUM NITRIDE
1.2 Synonyms: 247-248-8 Monoyttrium mononitride Nitridoyttrium Nitriloyttrium Yttrium mononitride YTTRIUM NITRIDE Yttrium nitride (YN) Yttrium, nitrido-

1.3 CAS No.: 25764-13-0

1.4 CID: 117630

1.5 EINECS(EC#): 247-248-8

1.6 Inchi: InChI=1S/N.Y

1.7 InChIkey: AJXBBNUQVRZRCZ-UHFFFAOYSA-N

1.8 Canonical Smiles: N#[Y]

1.9 Isomers Smiles: N#[Y]

2. Properties

2.1 Density: 5.89 g/cm3(Temp: 23 °C)

2.1 Boiling point: °Cat760mmHg

2.1 Flash Point: °C

2.1 Precise Quality: 102.90900

2.1 PSA: 23.79000

2.1 logP: 0.01508

3. Safety and Handling

3.1 Hazard Declaration: H228

3.1 Caution Statement: P210, P240, P241, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P405, P501

3.1 Specification

The Yttrium nitride is an inorganic chemical compound with the formula NY. The IUPAC name of this chemical is azanylidyneyttrium. With the CAS registry number 25764-13-0, it is also named as nitridoyttrium. Thr EINECS is 247-248-8. Similar to titanium nitride and zirconium nitride, it is hard ceramic material. In addition, the lattice structure of YN differs only by 8% from that of gallium nitride which makes YN a possible buffer layer between a substrate and the GaN layer during GaN crystal growth. Furthermore, the nitrides of yttrium show semiconducting properties.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Exact Mass: 102.908922; (5)MonoIsotopic Mass: 102.908922; (6)Topological Polar Surface Area: 23.8; (7)Heavy Atom Count: 2; (8)Complexity: 10; (9)Covalently-Bonded Unit Count: 1.

People can use the following data to convert to the molecule structure.
1. SMILES: N#[Y];
2. InChI: InChI=1/N.Y/rNY/c1-2;
3. InChIKey: AJXBBNUQVRZRCZ-GIBBTHEDAO.

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4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable solids, Category 1

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H228 Flammable solid H314 Causes severe skin burns and eye damage
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P280 Wear protective gloves/protective clothing/eye protection/face protection. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P264 Wash ... thoroughly after handling.
Response	P370+P378 In case of fire: Use ... to extinguish. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/… P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Other Information

5.0 Manufacturing Info: Yttrium nitride (YN): ACTIVE

6. Computational chemical data

Molecular Weight: 102.91255g/mol
Molecular Formula: NY
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 102.908912
Monoisotopic Mass: 102.908912
Complexity: 10
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 23.8
Heavy Atom Count: 2
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcQACAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==