기본 정보
- CAS
5015-38-3- 표준 SMILES
N#CCCOP(=O)([O-])[O-].[Ba+2]- InChIKey
MRQIDZJGQMWVQR-UHFFFAOYSA-L- 분자식
- C3H4BaNO4P
- 평균 분자량
- 286.37 g/mol
- 단동위원소 질량
- 286.893042
이름 및 식별자
- 우선 이름
- Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)
- IUPAC
- barium(2+);2-cyanoethyl phosphate
- 영어명
- Barium 2-cyanoethylphosphate
- 분자식
- C3H8BaNO4P
- 분자량
- 290.4
이름 및 동의어
5015-38-3Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)EINECS 225-696-5DTXSID3063677RefChem:176314DTXCID2040783Barium 2-cyanoethyl phosphateBarium 2-Cyanoethylphosphatebarium(2+);2-cyanoethyl phosphate2-Cyanoethyl Phosphate, Barium Salt DihydrateMFCD000125882-Cyanoethylphosporic Acid Barium Salt
이름 더 보기
BariuM β-Cyanoethyl PhosphateBARIUM 2-CYANOETHYL PHOSPHATE 2-HYDRATECyanoethylphosphate Barium Salt Dihydrate3-(phosphonooxy)-Propanenitrile barium salt(2-Cyanoethyl)oxyphosphonic acid barium salt3-(phosphonooxy)-propanenitrilbariumsalt(1:1)2-Cyanoethylphosporic Acid Barium Salt HydratePhosphoric acid barium 2-cyanoethyl ester salt
C3H4BaNO4Pbarium cyanoethyl phosphate2-Cyanoethyl Phosphate BariumSCHEMBL7216237AKOS015958763CS-W012218FC20640BP-30226
데이터베이스 식별자
- CAS
5015-38-3- PubChem CID
- 78714
- DTXSID
DTXSID3063677- EC Number
- 225-696-5
- Nikkaji
- J203.247C
물성
구조 계산 물성
- 극성 표면적
- 96.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 152
물리화학적 성질
- 녹는점
- 300 °C · >300°C
- 용해도
- 1 M · 1 M HCl: 용해성0.25g/5mL, 투명, 무색
- BRN
- 5662807 · 5662807
- InChI
- 1S/C3H6NO4P.Ba.2H2O/c4-2-1-3-8-9(5,6)7;;;/h1,3H2,(H2,5,6,7);;2*1H2/q;+2;;/p-2
- InChIKey
- SFFRVKYTJRRUNW-UHFFFAOYSA-L
- SMILES
- O.O.[Ba++].[O-]P([O-])(=O)OCCC#N
- EPA
- 3 · Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) (5015-38-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 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 InformationBarium 2-cyanoethyl: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)；Acute Tox. 4 (97.5%)
규제 정보
Regulatory InformationBarium 2-cyanoethyl: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 3
- HS 번호
- 2931.90.9051
- risk_code
- 20/22
- hazard_code
- Xn
화학 및 산업
용도 및 제조
General Manufacturing InformationPropanenitrile, 3-(phosphonooxy)-, barium salt (1:1): ACTIVE
응용 분야
용도Barium 2-Cyanoethylphosphate Hydrate is a phosphorylating agent with a protecting group sensitive to mild alkali, useful as an intermediate in the synthesis of nucleotides.
공급사32 곳
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
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