Benzo[b]thiophene-3-carbonitrile
Grundinformationen
- CAS
24434-84-2- Standard-SMILES
N#Cc1csc2ccccc12- InChIKey
WBXHAYDGMCONLX-UHFFFAOYSA-N- Summenformel
- C9H5NS
- Durchschnittliche Molmasse
- 159,21 g/mol
- Monoisotopische Masse
- 159,01427016
Namen und Bezeichner
- Bevorzugter Name
- Benzo[b]thiophene-3-carbonitrile
- IUPAC
- 1-benzothiophene-3-carbonitrile
- Englischer Name
- Benzo[b]thiophene-3-carbonitrile
- Summenformel
- C9H5NS
- Molmasse
- 159.21
Namen und Synonyme
Benzo[b]thiophene-3-carbonitrile24434-84-21-Benzothiophene-3-carbonitrileDTXSID50465701Benzo(b)thiophene-3-carbonitrileRefChem:326220DTXCID40416520625-281-2WBXHAYDGMCONLX-UHFFFAOYSA-NMFCD08276872Benzothiophene-3-carbonitrileBenzo[b]thiophene-3-carbonitrile, 97%
Weitere Namen anzeigen
BUTTPARK 147\16-613-Cyano-1-benzothiopheneBenzothiophene-3-nitrileBenzo[b]thiophene-3-carbonitrile 97%Benzo(b)thiophene-3-carbonitrile ,97%
DS-16051SY270838CS-00439063-Cyanobenzo[b]thiophene1-benzo[b]thiophene-3-carbonitrileFT-0687958AKOS011CHEMBL596115
Datenbank-Bezeichner
- CAS
24434-84-2- PubChem CID
- 11435093
- DTXSID
DTXSID50465701- ChEMBL
CHEMBL596115- EC Number
- 625-281-2
- Nikkaji
- J88.262C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 52 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 193
Physikochemische Eigenschaften
- Schmelzpunkt
- 71 · 71-75 °C
- Siedepunkt
- 312.7 · 312.7±15.0 °C(Predicted)
- Dichte
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- InChI
- 1S/C9H5NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H
- InChIKey
- WBXHAYDGMCONLX-UHFFFAOYSA-N
- SMILES
- N#Cc1csc2ccccc12
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- hs_code
- 29349990
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter41 Anbieter
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Zugehörige Reaktionen
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