2-Hydroxybenzonitril
2-Hydroxybenzonitrile
Grundinformationen
- CAS
611-20-1- Standard-SMILES
N#Cc1ccccc1O- InChIKey
CHZCERSEMVWNHL-UHFFFAOYSA-N- Summenformel
- C7H5NO
- Durchschnittliche Molmasse
- 119,12 g/mol
- Monoisotopische Masse
- 119,03711378
Überblick
2-Cyanophenol is a nitrile and a member of benzenes.
Namen und Bezeichner
- Bevorzugter Name
- 2-Hydroxybenzonitrile
- IUPAC
- 2-hydroxybenzonitrile
- Lokaler Name
- 2-Hydroxybenzonitril
- Englischer Name
- 2-Cyanophenol
- Summenformel
- C7H5NO
- Molmasse
- 119.12
Namen und Synonyme
2-Hydroxybenzonitrile2-Cyanophenol611-20-1Salicylonitrileo-Cyanophenolo-HydroxybenzonitrileBenzonitrile, 2-hydroxy-DTXSID304166151RSM8K1VZNSC-53558DTXCID1021661RefChem:473406
Weitere Namen anzeigen
2-hydroxy-benzonitrilCYANOPHENOLTIMTEC-BB SBB0079592-Cyanopheno2 /4 CyanoPhenol
210-259-3SalicylnitrileBenzonitrile, hydroxy-Benzonitrile, o-hydroxy-HydroxybenzonitrileMFCD00002145o-Hydoxybenzonitrile2-Hydroxy-benzonitrile
Datenbank-Bezeichner
- CAS
611-20-1、69481-42-1- PubChem CID
- 11907
- DTXSID
DTXSID3041661- ChEMBL
CHEMBL195342- ChEBI
CHEBI:194657- UNII
- 51RSM8K1VZ
- EC Number
- 210-259-3
- Nikkaji
- J75B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 44 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 135
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesDensity
LogP1.59
Ionization Efficiency
Positive
1.29
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Physikochemische Eigenschaften
- Schmelzpunkt
- 92 · 92-95 °C (lit.)
- Siedepunkt
- 149 °C/14 · 149 °C/14 mmHg (lit.)
- Dichte
- 1.1052 · 1.1052
- Dampfdruck
- 0.17 Pa · 0.17Pa at 25℃
- Brechungsindex
- 1.5372 · 1.5372
- Flammpunkt
- 149 °C/14mm · 149°C/14mm
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform (Sparingly), Methanol (Slightly)
- Aggregatzustand
- Crystalline Powder
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 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 120 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzonitrile, 2-hydroxy-
REACH registered substance: Salicylonitrile (EC: 210-259-3)
2-Hydroxybenzonitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (99.2%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29269095
- risk_code
- 22-36/37/38-20/21/22
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36-45
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Sens. 1B
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzonitrile, 2-hydroxy-: ACTIVE
Anwendungen
BeschreibungCyanophenol is a vital molecule widely used to synthesize liquid crystal materials, medicines, spices, pesticides, corrosion inhibitors, etc. Cyanophenol is formed by substituting two hydrogen atoms of benzene molecules with hydroxyl and cyano groups, respectively. The cyano and hydroxyl groups are in the ring plane in the stable molecular structure. The hydroxyl group can have two different orientations relative to the cyano group. 2-cyanophenol, one of the Cyanophenol, is an essential ingredient in pesticides, spices, liquid crystal materials, etc. It is an especially critical intermediate for synthesizing methoxyacrylate fungicide mystrostrobin, widely used in agrochemicals, pharmaceutical chemicals, and other industries. The cyano group can strongly attract electrons. Replacing a hydrogen atom of the benzene ring by the cyano group usually increases the ionization energy (IE)[1].
Verwenden2-Hydroxybenzonitrile is used as starting reagent during the synthesis of mono-alkoxyphenyloxazoline, furanoside.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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