(3-Methoxyphenyl)acetonitrile (HCID 88310)

Namen und Bezeichner

Bevorzugter Name: (3-Methoxyphenyl)acetonitrile
IUPAC: 2-(3-methoxyphenyl)acetonitrile
Lokaler Name: (3-Methoxyphenyl)acetonitril
Englischer Name: (3-Methoxyphenyl)acetonitrile
Summenformel: C9H9NO
Molmasse: 147.17

Namen und Synonyme

19924-43-7(3-Methoxyphenyl)acetonitrile3-MethoxyphenylacetonitrileBenzeneacetonitrile, 3-methoxy-(m-Methoxyphenyl)acetonitrilem-Methoxy benzyl cyanideEINECS 243-428-5DTXSID60173704NSC 143401RefChem:69128DTXCID5096195243-428-5

Weitere Namen anzeigen

M-METHOXYBENZONITRILEAKOS B004087M-ANISONITRILE3-CYANOANISOLE3-ANISONITRILEm-Anisyl cyanide(3-Methoxyphenyl)aceEmbutramide Impurity 13-Methoxyphenylactonitrile

InChI=1/C9H9NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1HLXKNAUOWEJWGTE-UHFFFAOYSA-N2-(3-methoxyphenyl)acetonitrile3-Methoxybenzyl cyanideMFCD000019103-methoxybenzeneacetonitrile2-(3-methoxyphenyl)ethanenitrileNSC-143401

Datenbank-Bezeichner

CAS: 19924-43-7
PubChem CID: 88310
DTXSID: DTXSID60173704
ChEMBL: CHEMBL2228958
ChEBI: CHEBI:194899
UNII: 7W4V7EEP5V
EC Number: 243-428-5
Nikkaji: J62.876J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 33 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 158

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1379.4；1372

Physikochemische Eigenschaften

Schmelzpunkt: 8 C · 8C
Siedepunkt: 164 · 164-165 °C/20 mmHg (lit.)
Dichte: 1.054 g/mL · 1.054 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.5402(lit.)
Flammpunkt: 221 °F · 221 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Liquid
Farbe: Clear colorless to slightly yellow
Wasserlöslichkeit: INSOLUBLE
BRN: 1865539 · 1865539
InChI: InChI=1S/C9H9NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1H3
InChIKey: LXKNAUOWEJWGTE-UHFFFAOYSA-N
SMILES: C1(CC#N)=CC=CC(OC)=C1
CAS Datenbank: 19924 · 19924-43-7(CAS DataBase Reference)
NIST chemische Informationen: (3-Methoxyphenyl)acetonitrile(19924-43-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 1.8% (1 of 56) of reports.

Danger

H301 (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 exposure; Respiratory 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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: 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%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Status: 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

Sicherheitsdaten

wgk: 3
ridadr: 3276
hs_code: 29269095
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-37/39-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

Verwenden3-Methoxyphenylacetonitrile is used in the synthesis of isoflavones which inhibit epithelial cell proliferation and induce apoptosis in vitro.