Barium-2-cyanethylphosphat
Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)
Grundinformationen
- CAS
5015-38-3- Standard-SMILES
N#CCCOP(=O)([O-])[O-].[Ba+2]- InChIKey
MRQIDZJGQMWVQR-UHFFFAOYSA-L- Summenformel
- C3H4BaNO4P
- Durchschnittliche Molmasse
- 286,37 g/mol
- Monoisotopische Masse
- 286,893042
Namen und Bezeichner
- Bevorzugter Name
- Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)
- IUPAC
- barium(2+);2-cyanoethyl phosphate
- Lokaler Name
- Barium-2-cyanethylphosphat
- Englischer Name
- Barium 2-cyanoethylphosphate
- Summenformel
- C3H8BaNO4P
- Molmasse
- 290.4
Namen und Synonyme
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
Weitere Namen anzeigen
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
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 96,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 152
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300°C
- Löslichkeit
- 1 M · 1 M HCl: soluble0.25g/5mL, clear, colorless
- 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
- CAS Datenbank
- 5015 · 5015-38-3(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) (5015-38-3)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Regulatorische Informationen
Regulatory InformationBarium 2-cyanoethyl: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2931.90.9051
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPropanenitrile, 3-(phosphonooxy)-, barium salt (1:1): ACTIVE
Anwendungen
VerwendenBarium 2-Cyanoethylphosphate Hydrate is a phosphorylating agent with a protecting group sensitive to mild alkali, useful as an intermediate in the synthesis of nucleotides.
Anbieter32 Anbieter
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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