1-Fluoro-4-(2-isocyanatoethyl)benzene
Grundinformationen
- CAS
65535-53-7- Standard-SMILES
O=C=NCCc1ccc(F)cc1- InChIKey
FDCHHLBMDMJXGM-UHFFFAOYSA-N- Summenformel
- C9H8FNO
- Durchschnittliche Molmasse
- 165,16 g/mol
- Monoisotopische Masse
- 165,0589921
Namen und Bezeichner
- Bevorzugter Name
- 1-Fluoro-4-(2-isocyanatoethyl)benzene
- IUPAC
- 1-fluoro-4-(2-isocyanatoethyl)benzene
- Englischer Name
- 4-Fluorophenethyl isocyanate 97
- Summenformel
- C9H8FNO
- Molmasse
- 165.16
Namen und Synonyme
1-fluoro-4-(2-isocyanatoethyl)benzeneRefChem:432820626-506-74-Fluorophenethyl isocyanate65535-53-7SCHEMBL895269DTXSID50409786FDCHHLBMDMJXGM-UHFFFAOYSA-N4-Fluorophenethyl isocyanate, 97%GEO-03221AKOS010078908AS-87702
Weitere Namen anzeigen
4-Fluorophenethyl isocyanate 974-Fluorophenethyl isocyanate 97%2-(4-Fluorophenyl)ethyl isocyanate1-(2-isocyanatoethyl)-4-fluorobenzeneBenzene, 1-fluoro-4-(2-isocyanatoethyl)-
EN300-77108A12731F828609
Datenbank-Bezeichner
- CAS
65535-53-7- PubChem CID
- 5204802
- DTXSID
DTXSID50409786- EC Number
- 626-506-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 29,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 169
Physikochemische Eigenschaften
- Siedepunkt
- 232 · 232-233 °C (lit.)
- Dichte
- 1.1342 g/mL · 1.1342 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.5011(lit.)
- Flammpunkt
- 226 °F · 226 °F
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C9H8FNO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2
- InChIKey
- FDCHHLBMDMJXGM-UHFFFAOYSA-N
- SMILES
- Fc1ccc(CCN=C=O)cc1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2206 6.1/PG 3
- risk_code
- 20/21/22-36/37/38-42
- hazard_code
- Xn
- safety_code
- 23-26-36
- hazard_class
- 6.1
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Chemie und Industrie
Anbieter17 Anbieter
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
重庆臻格医药科技有限公司023-88654579 13637703915 · [email protected]
Aladdin Scientific[email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
重庆卡兰医药有限公司[email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Zugehörige Reaktionen
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Notizen zur Verbindung
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