ChemicalBook--->CAS DataBase List--->12047-79-9

12047-79-9

12047-79-9 Structure

12047-79-9 Structure
IdentificationBack Directory
[Name]

BARIUM NITRIDE
[CAS]

12047-79-9
[Synonyms]

gettera
BARIUM NITRIDE
tribarium dinitride
bariumnitride(ba3n2)
BariuM nitride (99.7%-Ba)
azanidylidenebarium,barium(2+)
BariuM nitride powder, -20 Mesh, 99.7% trace Metals basis, Sr: <0.8%
[EINECS(EC#)]

234-977-1
[Molecular Formula]

Ba3N2
[MDL Number]

MFCD00049718
[MOL File]

12047-79-9.mol
[Molecular Weight]

439.99
Chemical PropertiesBack Directory
[Boiling point ]

1000, vacuum [ALF93]
[density ]

4.780
[solubility ]

reacts with H2O
[form ]

Powder
[color ]

black
[Water Solubility ]

decomposed in H2O [CRC10]
[InChI]

1S/3Ba.2N
[InChIKey]

ZNGBRDVORXINKX-UHFFFAOYSA-N
[SMILES]

[Ba]=N[Ba]N=[Ba]
[EPA Substance Registry System]

Barium nitride (Ba3N2) (12047-79-9)
Hazard InformationBack Directory
[Chemical Properties]

yellowish brown; -20 mesh, 99.7% purity [CER91] [CIC73]
[Description]

Barium nitride purportedly has the molecular formula of Ba3N2 and the molecular weight of 439.9944 g/mol. Its CAS number is 12047-79-9. It is offered for sale by several reputable manufacturers but the actual composition and identity may not coincide with the formula presented. Although Mg, Ca (and to some extent Sr) forms a number of compounds based upon the general formula M3N2, there is no report in the literature that or Ba forms such compositions. The literature is devoid of any data relating to Ba3N2 and the subnitride is mentioned only in the presence of Sr2N.
Barium nitride has been reported to be metastable and sublimes in the 915 to 1050 C temperature range. The reported equation for this behavior is: log P = 6.38 × 104/T(K) and it decomposes when heated beyond this range to form the metal and nitrogen gas, i.e. it is metastable. Thus, the existence of barium nitride is doubtful and no report of its formation or properties exists to date.
[Physical properties]

Barium–nitride–hydride is one of the fewdocumented H--ionic conductors. It crystallizes in the a-NaFeO2 structure (space group Rm) with distorted Ba-octahedra centered alternately by H- and N3-. Neutron diffraction shows that the hydrogen ions are distributed independent of temperature over lattice sites: 85% on (3a) and 15% on (6c). At T > 525 K a sharp increase of the ionic conductivity can be observed. The diffusion process takes place by uncorrelated jumps of hydrogen ions between regular lattice sites. Using quasielastic neutron scattering techniques and a planar jump diffusion model, we were able to determine the mean residence time on a H--site to be s = 20 ± 2d ps and the diffusion constant D to be 2.1×10-5 cm2/s at T = 823 K.
Ba2Nhas been used to produce other subnitrides. Bulk thermal or filament-initiated reactions of mixed powders of transition metal chlorides and Ba3N2 produces transition metal nitrides (TiN, ZrN, HfN, VN, V2N) in good yield. The products were characterized by X-ray powder diffraction, SEM/EDAX, FT-IR, microelemental analysis and imaging XPS. The effect of diluting the reaction by the addition of LiCl was used to lower reaction temperatures and in the case of WCI4 and Li3N produced WN. Reaction propagation was investigated by using various mixtures of nitriding reagent (Li3N, Mg3N2, Ca3N2), this was correlated with Tad(s), the maximum adiabatic combustion temperature for salt formation only.
[Uses]

Barium nitride is a ceramic that finds use as a dopant in optical materials such as white emitting LEDs. Ba3N2 is also used as a synthetic precursor for ternary metal nitrides and as a flux growth medium for GaN.
[Safety Profile]

A poison by ingestion. Flammableby spontaneous chemical reaction with water to liberateexplosive ammonia gas. Dangerous; explodes uponheating and by spontaneous chemical reaction, liberatingNH3 vapor which can form explosive mixtures with air.Violent
[Synthesis]

3 Ba + N2 = Ba3N2
The nitriding temperatures for Ba is and 560°C. To achieve complete conversion to the nitride, the heating must be continued for a long time or the temperature must be raised to 700-750°C on cessation of absorption of N2 .
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/22
[Safety Statements ]

28
[RIDADR ]

UN 2813 4.3 / PGI
[WGK Germany ]

3
[TSCA ]

TSCA listed
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
[Toxicity]

LD50 orl-mus: 46,100 mg/kg TOIZAG 22,119,75
12047-79-9 suppliers list
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Shanghai Aladdin Bio-Chem Technology Co.,LTD  
Telephone: 400-6206333 13167063860
Website: www.aladdin-e.com/
Company Name: Sigma-Aldrich  
Telephone: 021-61415566 800-8193336
Website: https://www.sigmaaldrich.cn
Company Name: Shanghai YuanYe Biotechnology Co., Ltd.  
Telephone: 15026964105
Website: www.shyuanye.com
Company Name: Shenzhen Polymeri Biochemical Technology Co., Ltd.  
Telephone: +86-400-002-6226
Website: https://www.rrkchem.com
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Hubei yongkuo Technology Co., Ltd  
Telephone: 027-59223108 15972152991
Website: www.hbyongkuo.com/contact.html
Company Name: Hubei Xinkang Pharmaceutical Chemical Co., Ltd  
Telephone: 027-027-59308705 18871579363
Website: www.xin-api.com/
Company Name: Hubei Shishun Biotechnology Co. Ltd  
Telephone: 027-59223025 15107168801
Website: www.ss-bio.com/
Company Name: Hubei Baidu Chemical Co., Ltd  
Telephone: 027-59106051 13627137652
Website: www.chemicalbook.com/supplier/23879235/
Company Name: Hubei Guangao Biotechnology Co., Ltd  
Telephone: 027-02702759223056 18162699093
Website: www.guangaobio.com/
Company Name: Hubei Wande Chemical Co., Ltd  
Telephone: 15377098680 15377098680
Website: www.wande-chem.com/
Company Name: Tianmen Hengchang Chemical Co., Ltd  
Telephone: 027-59322316 15172518801
Website: www.tianmenchem.com/
Company Name: Hubei Qifei Pharmaceutical Chemical Co., Ltd  
Telephone: 027-59322506 18071128681
Website: www.qifeiapi.com/
Company Name: Hubei xingongli Chemical Co., Ltd  
Telephone: 027-027-59106151 15172325309
Website: www.xinhonglichem.com/
Company Name: Hubei DAHAO Chemical Co., Ltd.  
Telephone: 027-027-59106191 13986034860
Website: www.chemicalbook.com/showsupplierproductslist329222/0_en.htm
Company Name: Hubei Tuobang Chemical Co., Ltd.  
Telephone: 027-59106185 13986192185
Website: www.hubeituobang.com/
Company Name: Shanghai Yingxin laboratory equipment Co., Ltd  
Telephone: 021-021-59178156 15300768757
Website: http://www.yingxinbio.com/
Tags:12047-79-9 Related Product Information
12033-82-8 13597-99-4 25583-20-4 12033-89-5 18810-58-7 10043-11-5 10124-37-5 12057-71-5 1304-54-7 12013-82-0 10022-31-8 10377-60-3 13470-06-9 10213-12-4