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HCID 88310Erstellt: 25. Oktober 2026

(3-Methoxyphenyl)acetonitril

M-METHOXYBENZONITRILE · AKOS B004087 · M-ANISONITRILE · 3-CYANOANISOLE · 3-ANISONITRILE · m-Anisyl cyanide · (3-Methoxyphenyl)ace · Embutramide Impurity 1

https://huagongshe.com/de/chemical/88310

Molekülstruktur von (3-Methoxyphenyl)acetonitril

Identifikatoren & physikalische Daten

CAS No.19924-43-7
SummenformelC9H9NO
Durchschnittliche Molmasse147,17 g/mol
Monoisotopische Masse147,06841391 g/mol
SMILESCOc1cccc(CC#N)c1
InChIKeyLXKNAUOWEJWGTE-UHFFFAOYSA-N
PubChem CID88310
ChEMBLCHEMBL2228958
ChEBICHEBI:194899
EC No.243-428-5
DTXSIDDTXSID60173704
Lokaler Name(3-Methoxyphenyl)acetonitril

Chemische & physikalische Eigenschaften

XLogP1,5
Polarare Oberfläche (TPSA)33
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen2
Schwere Atome11
Formalladung0
Komplexität158
Kovats Retention Index1379.41372
Schmelzpunkt8C
Siedepunkt164-165 °C/20 mmHg (lit.)
Dichte1.054 g/mL at 25 °C (lit.)
Brechungsindexn20/D 1.5402(lit.)
Flammpunkt221 °F
LagerbedingungenSealed in dry,Room Temperature
LöslichkeitChloroform, MethanolINSOLUBLE
AggregatzustandLiquid
FarbeClear colorless to slightly yellow
BRN1865539
InChIInChI=1S/C9H9NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1H3
InChIKeyLXKNAUOWEJWGTE-UHFFFAOYSA-N
SMILESC1(CC#N)=CC=CC(OC)=C1
CAS Datenbank19924-43-7(CAS DataBase Reference)
NIST chemische Informationen(3-Methoxyphenyl)acetonitrile(19924-43-7)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 1.8% (1 of 56) of reports.DangerH301 (28.6%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (16.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H330 (16.1%): Fatal if inhaled [Danger Acute toxicity, inhalation]H335 (73.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 56 reports by companies.There are 7 notifications provided by 55 of 56 reports by companies with hazard statement code(s).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.
Regulatorische InformationenStatus: Active Update: 19-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19545(3-Methoxyphenyl)acetonitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (28.6%)Acute Tox. 3 (16.1%)Skin Irrit. 2 (75%)Eye Irrit. 2A (75%)Acute Tox. 2 (16.1%)STOT SE 3 (73.2%)
Wassergefährdungsklasse (WGK)3
UN-Transportnummer3276
Zollcode29269095
R-Sätze (R)20/21/22-36/37/38
GefahrensymboleXn,Xi
hazard_noteIrritant
Sicherheitshinweise (S)26-37/39-36
Gefahrenklasse6.1
VerpackungsgruppeIII
Lagerklasse10 - Combustible liquids

Anwendungen & Verwendung

Verwenden

3-Methoxyphenylacetonitrile is used in the synthesis of isoflavones which inhibit epithelial cell proliferation and induce apoptosis in vitro.