3-Benzyloxyphenyl isothiocyanate
Grundinformationen
- CAS
206559-36-6- Standard-SMILES
S=C=Nc1cccc(OCc2ccccc2)c1- InChIKey
QJLFNDXMZQJMDL-UHFFFAOYSA-N- Summenformel
- C14H11NOS
- Durchschnittliche Molmasse
- 241,31 g/mol
- Monoisotopische Masse
- 241,05613515
Namen und Bezeichner
- Bevorzugter Name
- 3-Benzyloxyphenyl isothiocyanate
- IUPAC
- 1-isothiocyanato-3-phenylmethoxybenzene
- Englischer Name
- 3-Benzyloxyphenyl isothiocyanate
- Summenformel
- C14H11NOS
- Molmasse
- 241.31
Namen und Synonyme
3-Benzyloxyphenyl isothiocyanate206559-36-6DTXSID50340089RefChem:277071DTXCID20291170QJLFNDXMZQJMDL-UHFFFAOYSA-N3-Benzyloxyphenylisothiocyanate1-(Benzyloxy)-3-isothiocyanatobenzene1-isothiocyanato-3-phenylmethoxybenzeneBenzene, 1-isothiocyanato-3-(phenylmethoxy)-MFCD00060374SCHEMBL1399693
Weitere Namen anzeigen
3-Benzyloxyphenyl isothiocyate, 98%Benzene-1-isothiocyanato-3-(phenylmethoxy)Benzene, 1-isothiocyanato-3-(phenylmethoxy)- (9CI)3-Benzyloxyphenyl isothiocyanate, Benzyl 3-isothiocyanatophenyl ether
3-(Benzyloxy)phenyl Isothiocyanate1-benzyloxy-3-isothiocyanato-benzene3-(phenylmethoxy)benzenisothiocyanateAKOS0052072751-(Benzyloxy)-3-isothiocyanatobenzene #AS-11548BP-11168SY062277
Datenbank-Bezeichner
- CAS
206559-36-6- PubChem CID
- 561446
- DTXSID
DTXSID50340089- EC Number
- 671-015-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,2
- Polarare Oberfläche (TPSA)
- 53,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 269
Physikochemische Eigenschaften
- Schmelzpunkt
- 49 · 49-51°C
- Siedepunkt
- 398.3 · 398.3±25.0 °C(Predicted)
- Dichte
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- solid
- InChI
- InChI=1S/C14H11NOS/c17-11-15-13-7-4-8-14(9-13)16-10-12-5-2-1-3-6-12/h1-9H,10H2
- InChIKey
- QJLFNDXMZQJMDL-UHFFFAOYSA-N
- SMILES
- C1(N=C=S)=CC=CC(OCC2=CC=CC=C2)=C1
- CAS Datenbank
- 206559 · 206559-36-6(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+H312+H332 (88.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- ridadr
- UN2811
- hs_code
- 2930909899
- risk_code
- 20/22-36/37/38-50/53-43-41-37/38-20/21/22
- hazard_code
- Xi,N,Xn
- safety_code
- 26-36/37/39-61-60
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Chemie und Industrie
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陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
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南京圣亿来化工有限公司19951936396 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
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重庆卡兰医药有限公司[email protected]
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Shanghai Yudiao Chemistry Technology Co.,Ltd02137285211 18964703211 · [email protected]
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Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
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