sodium (2H4)boranuide

• ChemBase编号: 106254
• 分子式: BNa
• 平均质量: 33.80077
• 单一同位素质量: 33.99907468
• SMILES: [BH3-].[Na+]
• Canonical SMILES: [BH3-].[Na+]
• InChI: InChI=1S/BH4.Na/h1H4;/q-1;+1
• InChIKey: YOQDYZUWIQVZSF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: sodium (^2H₄)boranuide; sodium boranuide
• IUPAC传统名: sodium (^2H₄)boranuide; sodium boranuide
• 别名: 硼氘化钠; Sodium tetrahydridoborate, deuterated; SODIUM BORODEUTERIDE; SODIUM BORODEUTERIDE-D4; Sodium tetradeuterioboron; Sodium borodeuteride; Sodium Borodeuteride; Sodium Tetrahydro-d4-borate; Sodium tetradeuterioborate; Sodium tetradeuteroborate; Sodium tetrahydroborate-d4; Sodium Borohydride-d4

登记号

• CAS号: 15681-89-7
• EC号: 239-764-7
• MDL号: MFCD00003519
• PubChem SID: 24852210; 162093140
• PubChem CID: 23673181

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -1.804
• LogD (pH = 7.4): -1.804
• Log P: -1.804
• 摩尔折射率: 3.2 cm^3
• 极化性: 3.2773068 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Powder; White Solid
• 熔点: ^=400°C dec.; >300 °C (dec.)(lit.)
• 自燃点: 752 °F
• 密度: 1.184 g/mL; 1.187 g/mL
• 质量偏移: M+4

安全信息

• 保存条件: Refrigerator, Under Inert Atmosphere
• 保存注意事项: Moisture Sensitive
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 1426; UN1426
• 德国WGK号: 3
• 联合国危险货物等级: 4.3
• 联合国危险货物包装类别(PG): 1; I
• 危险公开号: 11-15-24/25-34; 15-23/24/25-34
• 安全公开号: 7/8-16-36/37/39-43-45; 7/8-26-36/37/39-43-45
• TSCA收录: 否
• GHS危险品标识: GHS02; GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H260-H301-H311-H314; H301-H311-H331-H314-H318-H261
• GHS警示性声明: P223-P231 + P232-P280-P301 + P310-P370 + P378-P422; P280-P303+P361+P353-P305+P351+P338-P310-P370+P378I-P402+P404
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1426 4.3/PG 1

产品相关信息

• 纯度: 90% (CP); 98%; 99% (Isotopic)
• 同位素纯度: 96 atom % D; 98 atom % D
• Mol. Weight: mol wt 41.696 (atom %calacualtion); mol wt 41.817 (atom % calculation)
• 线性分子式: NaBD4

详细说明

MP Biomedicals - 02521667

Purity: 98% D atom.

MP Biomedicals - 05222426

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 205591

Application
用于制备 α,α-二氘代-β-氨基酸的试剂。1还用于制备胺稳定的氘化硼烷 THF。2
包装
1, 5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 388564

包装
螺纹盖瓶装

Toronto Research Chemicals - S614902

Labelled Sodium Borohydride used as a reagent used to prepare α,α-dideutero-β-amino acids. Sodium Borohydride-d4 is also used to prepare amine-stabilized, deuterated borane-THF.

参考文献

• Todd, R.C. et al.: Tetrahedron Lett., 48, 2335 (2007)
• Synthesis, 4013, (2007)