Sodium triacetoxyborohydride (HCID 5049666)

名称と識別子

優先名称: Sodium triacetoxyborohydride
IUPAC: sodium triacetyloxyboranuide
現地名: ナトリウムトリアセトキシボロヒドリド
英語名: Sodium triacetoxyborohydride
分子式: C6H10BNaO6
分子量: 211.94

名称と別名

4VU0JE4YSKDTXSID8074368Borate(1-), tris(acetato-kappaO)hydro-, sodium (1:1), (T-4)-RefChem:887964DTXCID5042089611-401-056553-60-7Borate(1-), tris(acetato-kappaO)hydro-, sodium, (T-4)-Sodium triacetoxyborohydrideSodium Triacetoxyborohydride (Technical Grade)C6H10BNaO6sodium trisacetoxyborohydride

名称をさらに表示

ナトリウムトリアセトキシボロヒドリドトリアセトキシ硼酸水素ナトリウムトリアセトキシ水素化ほう素ナトリウムトリアセトキシ水素化ほう素ナトリウム, 95%トリアセトキシ水素化ほう素ナトリウム, min. 95%stabNaBH（OAc）3sodium tris(acetoxy)borohydrideSODIUM TRIACETOXYHYDROBORATESodium TriacetoxyborohyrideSodium triacetoborohydridesodium bis(acetyloxy)boranuidyl acetateSodium triacetoxySodium triacetoboroSodium triacetoboroh

sodium triacetoxy-borohydrideNa(OAc)3BHNaB(OAc)3HNaBH(AcO)3NaBH(OAc)3sodium tnacetoxyborohydndesodium;triacetoxyboranuideUNII-4VU0JE4YSK

データベース識別子

CAS: 56553-60-7
PubChem CID: 5049666
DTXSID: DTXSID8074368
UNII: 4VU0JE4YSK
EC Number: 435-580-8、611-401-0
Nikkaji: J1.884.353F、J2.805.651F

物性

構造計算による物性

極性表面積: 78.9 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 6
重原子数: 14
形式電荷: 0
複雑度: 192

実験および物理化学的性質

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 116 · 116-120 °C (dec.) (lit.)
沸点: 111.1 ℃[at · 111.1℃[at 101 325 Pa]
比重(密度): 1.36 · 1.36[at 20℃]
蒸気圧: 0 Pa · 0Pa at 25℃
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: ジメチルスルホキシド、メタノール、ベンゼン、トルエン、テトラヒドロフラン、ジオキサン、ジクロロメタンに可溶。
外見: 粉
色: 白い
水溶解度: 反応する
Merck: 14 · 14,8695
BRN: 4047608 · 4047608
InChI: 1S/C6H10BO6.Na/c1-4(8)11-7(12-5(2)9)13-6(3)10;/h7H,1-3H3;/q-1;+1
InChIKey: HHYFEYBWNZJVFQ-UHFFFAOYSA-N
SMILES: [Na+].CC(=O)O[BH-](OC(C)=O)OC(C)=O
LogP: -2.88 · -2.88--1.09 at 20℃
CAS データベース: 56553 · 56553-60-7(CAS DataBase Reference)
EPAの化学物質情報: Borate(1-), tris(acetato-.kappa.O)hydro-, sodium, (T-4)- (56553-60-7)

化学的性質 · 1 件

化学的特性Sodium triacetoxyborohydride (STAB-H) is commercially available as a hygroscopic white powder with a melting point of 116-120 °C. freely soluble in benzene. It is prepared by the reaction of NaBH4 with excess acetic acid in benzene or toluene.

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H228 (38.3%): Flammable solid [Danger Flammable solids]；H260 (68.9%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases]；H261 (31.1%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]；H314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (83%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (65.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (26%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H360 (50.2%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P210, P223, P231+P232, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P335+P334, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P332+P317, P362+P364, P363, P370+P378, P402+P404, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 235 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 22-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20512；Status: Active Update: 11-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17743

Borate(1-), tris(acetato-.kappa.O)hydro-, sodium, (T-4)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryReacts with water evolving flammable gases; An irritant that may cause serious eye injury; [Alfa Aesar MSDS] See Lithium borohydride and Sodium borohydride. See Boric acid.

Hazard Classes and CategoriesFlam. Sol. 2 (38.3%)；Water-react. 1 (68.9%)；Water-react. 3 (31.1%)；Skin Corr. 1B (11.1%)；Skin Irrit. 2 (83%)；Eye Dam. 1 (65.1%)；STOT SE 3 (26%)；Repr. 1B (50.2%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 22-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20512；Status: Active Update: 11-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17743

Borate(1-), tris(acetato-.kappa.O)hydro-, sodium, (T-4)-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 1409 4.3/PG 2
PRTR法: 第一種指定化学物質
hs_code: 29319090
risk_code: 15-34-14/15-37/38-11
化審法: (2)-4147
消防法: 危-3-II
hazard_code: F,Xi,C
hazard_note: Irritant/Flammable
safety_code: 43-7/8-45-36/37/39-26
hazard_class: 4.3
packing_group: III
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Sol. 1Repr. 1BWater-react 1
ストレージクラス: 4.3 - Hazardous materials which set free flammable gases upon contact with water

化学と産業

用途と製造

UsesUsed as a selective reducing agent in organic synthesis; [Merck Index]

応用分野 · 1 件

使用Sodium Triacetoxyborohydride(STAB) is a hydride reagent used in stereoselective reductive amination. It is able to replace toxic sodium cyanoborohydride under most conditions. It is selective in reducing aldehydes to alcohols in the presence of ketones. STAB is also stable in anhydrous acids, which enables reductive amination of aldehydes and ketones. It used in reductive amination of ketones and aldehydes and reductive amination/lactamization of carbonyl compounds with amines. The advantage of STAB compared to sodium cyanoborohydride is evident. STAB, being non-toxic, is easier to handle and forms no toxic by-products, making the treatment of process waste after the reaction simple and less costly.