1-(3-Isocyanatophenyl)ethan-1-one
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Grundinformationen
- CAS
23138-64-9- Standard-SMILES
CC(=O)c1cccc(N=C=O)c1- InChIKey
JASTZOAHAWBRLM-UHFFFAOYSA-N- Summenformel
- C9H7NO2
- Durchschnittliche Molmasse
- 161,16 g/mol
- Monoisotopische Masse
- 161,04767847
Namen und Bezeichner
- Bevorzugter Name
- 1-(3-Isocyanatophenyl)ethan-1-one
- IUPAC
- 1-(3-isocyanatophenyl)ethanone
- Englischer Name
- 3-ACETYLPHENYL ISOCYANATE
- Summenformel
- C9H7NO2
- Molmasse
- 161.16
Namen und Synonyme
1-(3-Isocyanatophenyl)Ethan-1-OneDTXSID90945815RefChem:423922DTXCID101374118626-046-73-Acetylphenyl isocyanate23138-64-91-(3-Isocyanatophenyl)ethanone3-AcetylphenylisocyanateEthanone, 1-(3-isocyanatophenyl)-3-IsocyanatoacetophenoneMFCD00013866
Weitere Namen anzeigen
3-ISOCYANATO ACETOPHENONE3-ACETYLPHENYL ISOCYANATE 97%3-Acetylphenyl isocyanate, 97% 1GR3-Acetylphenyl isocyanate, 97% 10GREthanone, 1-(3-isocyanatophenyl)- (9CI)
NSC22308723138-14-93-acetylbenzenisocyanateEthanone,1-(3-isocyanatophenyl)-m-acetylphenylm-Acetylphenyl isocyanate3'-isocyanato-acetophenone3-acetyl phenyl isocyanate
Datenbank-Bezeichner
- CAS
23138-64-9- PubChem CID
- 312718
- DTXSID
DTXSID90945815- EC Number
- 626-046-7
- Nikkaji
- J410.629F
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 219
Physikochemische Eigenschaften
- Schmelzpunkt
- 33 · 33-34 °C(lit.)
- Siedepunkt
- 155 °C4 · 155 °C4 mm Hg(lit.)
- Dichte
- 1.174 g/mL · 1.174 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.563(lit.)
- Flammpunkt
- 230 °F · >230 °F
- Aggregatzustand
- Liquid After Melting
- Farbe
- Clear yellow to light brown
- BRN
- 387294 · 387294
- InChI
- 1S/C9H7NO2/c1-7(12)8-3-2-4-9(5-8)10-6-11/h2-5H,1H3
- InChIKey
- JASTZOAHAWBRLM-UHFFFAOYSA-N
- SMILES
- CC(=O)c1cccc(c1)N=C=O
- CAS Datenbank
- 23138 · 23138-64-9(CAS DataBase Reference)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (90.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (13.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (90.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (13.6%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 2206
- hs_code
- 29291000
- risk_code
- 20/21/22-36/37/38
Chemie und Industrie
Anbieter45 Anbieter
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
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