Sodium triacetoxyborohydride

HCID 5049666CAS 56553-60-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]
InChIKey
HHYFEYBWNZJVFQ-UHFFFAOYSA-N
분자식
C6H10BNaO6
평균 분자량
211.94 g/mol
단동위원소 질량
212.0468125

이름 및 식별자

우선 이름
Sodium triacetoxyborohydride
IUPAC
sodium triacetyloxyboranuide
영어명
Sodium triacetoxyborohydride
분자식
C6H10BNaO6
분자량
211.94

이름 및 동의어

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
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적
78.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
6
무거운 원자 수
14

실험 및 물리화학적 성질

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
116 · 116-120 °C (dec.) (lit.)
끓는 점
111.1 ℃[at · 111.1℃[at 101 325 Pa]
밀도
1.36 · 1.36[at 20℃]
증기압
0 Pa · 0Pa at 25℃
저장 조건
Inert atmosphere,Room Temperature
용해도
디메틸 설폭시드, 메탄올, 벤젠, 톨루엔, 테라히드로푸란, 디옥산 및 염화메틸렌에 용해됩니다.
화학적 성질 · 1건

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.

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

규제 정보

Regulatory Information · 2건

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

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1409 4.3/PG 2
HS 번호
29319090
risk_code
15-34-14/15-37/38-11
hazard_code
F,Xi,C

화학 및 산업

용도 및 제조

UsesUsed as a selective reducing agent in organic synthesis; [Merck Index]
응용 분야 · 1건

용도Sodium 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.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北瑞泰医药科技有限公司15335880183
北京阿克曼科技有限公司18001219251

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