2-Hydroxybenzonitril

2-Hydroxybenzonitrile

HCID 11907CAS 611-20-1
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
N#Cc1ccccc1O
InChIKey
CHZCERSEMVWNHL-UHFFFAOYSA-N
Summenformel
C7H5NO
Durchschnittliche Molmasse
119,12 g/mol
Monoisotopische Masse
119,03711378

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-o-HydoxybenzonitrileMFCD00002145Hydroxybenzonitrile2-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

Experimentelle und physikochemische Eigenschaften

Ionization Efficiency · 6 Einträge

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (38.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (61.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (60%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (38.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (37.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；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

Regulatory Information · 3 Einträge

Chemical: Benzonitrile, 2-hydroxy-

Status: Active Update: 30-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5252

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%)；Skin Irrit. 2 (38.3%)；Skin Sens. 1 (61.7%)；Eye Dam. 1 (60%)；Eye Irrit. 2 (38.3%)；STOT SE 3 (37.5%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: Benzonitrile, 2-hydroxy-

Status: Active Update: 30-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5252

2-Hydroxybenzonitrile: Does not have an individual approval but may be used under an appropriate group standard

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

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzonitrile, 2-hydroxy-: ACTIVE
Anwendungen · 2 Einträge

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

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Zugehörige Reaktionen

194
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…