Grundinformationen
- CAS
15667-63-7- Standard-SMILES
C=CC(C#N)OC(C)=O- InChIKey
MEHLEOUIWVWVBF-UHFFFAOYSA-N- Summenformel
- C6H7NO2
- Durchschnittliche Molmasse
- 125,13 g/mol
- Monoisotopische Masse
- 125,04767846
Namen und Bezeichner
- Bevorzugter Name
- 3-Butenenitrile, 2-(acetyloxy)-
- IUPAC
- 1-cyanoprop-2-enyl acetate
- Lokaler Name
- 1-Cyanallylacetat
- Englischer Name
- Acetic acid 1-cyano-2-propenyl ester
- Summenformel
- C6H7NO2
- Molmasse
- 125.13
Namen und Synonyme
1-Cyanoallyl acetate3-Butenenitrile, 2-(acetyloxy)-EINECS 239-743-2EC 239-743-2DTXSID801015438NSC 46585RefChem:499469DTXCID301473722239-743-215667-63-71-Cyano-2-propenyl acetate1-cyanoprop-2-enyl acetate
Weitere Namen anzeigen
Acrolein cyanohydrin acetateAcetic acid 1-cyanoallyl ester1-Cyano-2-propenyl Acetate >3-Butenenitrile, 2-(acetyloxy)-
Acetic Acid 1-Cyano-2-propenyl EsterMFCD00010336DL-2-Acetoxy-3-butenenitrileMEHLEOUIWVWVBF-UHFFFAOYSA-NSC-465852-Acetoxy-3-butenenitrileBS-43899D88390
Datenbank-Bezeichner
- CAS
15667-63-7- PubChem CID
- 85891
- DTXSID
DTXSID801015438- ChEMBL
CHEMBL2271401- UNII
- 6EJW8B6WEY
- EC Number
- 239-743-2
- Nikkaji
- J248.727F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 50,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 165
Physikochemische Eigenschaften
- Siedepunkt
- 74 °C · 74 °C / 16mmHg
- Dichte
- 1.03 · 1.03
- Dampfdruck
- 34 Pa · 34Pa at 25℃
- Brechungsindex
- 1.423 · 1.4230-1.4250
- Flammpunkt
- 72 °C · 72 °C
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow
- Wasserlöslichkeit
- 15.8 g/L · 15.8g/L at 20℃
- LogP
- 0.12 at · 0.12 at 20℃
- EPA chemische Informationen
- 3 · 3-Butenenitrile, 2-(acetyloxy)- (15667-63-7)
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
Danger
H300+H310 (73.1%): Fatal if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 145 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
3-Butenenitrile, 2-(acetyloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Butenenitrile, 2-(acetyloxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 17-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10310
Hazard Classes and CategoriesAcute Tox. 2 (73.1%)
Sicherheitsdaten
- tsca
- TSCA listed
- ridadr
- 3276
- hs_code
- 2926.90.5050
- risk_code
- 23/24
- hazard_code
- T
- safety_code
- 36/37/39-45
- hazard_class
- 6.1
- packing_group
- III
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2022: 2 lb
General Manufacturing Information3-Butenenitrile, 2-(acetyloxy)-: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter32 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
Aladdin Scientific[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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
中塑供应链管理（山东）有限公司15726167122
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
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北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
重庆卡兰医药有限公司[email protected]
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南通众合化工新材料有限公司0513-85666561 15950816326 · [email protected]
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