o-Tolylacetonitril

2-(o-Tolyl)acetonitrile

HCID 31155CAS 22364-68-7

Grundinformationen

Standard-SMILES
Cc1ccccc1CC#N
InChIKey
WMGVPDQNPUQRND-UHFFFAOYSA-N
Summenformel
C9H9N
Durchschnittliche Molmasse
131,17 g/mol
Monoisotopische Masse
131,07349929

Namen und Bezeichner

Bevorzugter Name
2-(o-Tolyl)acetonitrile
IUPAC
2-(2-methylphenyl)acetonitrile
Lokaler Name
o-Tolylacetonitril
Englischer Name
2-Methylbenzyl cyanide
Summenformel
C9H9N
Molmasse
131.17

Namen und Synonyme

2-Methylbenzyl cyanide22364-68-72-(o-Tolyl)acetonitrileo-Tolylacetonitrile2-Methylphenylacetonitrileo-MethylphenylacetonitrileBenzeneacetonitrile, 2-methyl-ACETONITRILE, o-TOLYL-2-Methylbenzeneacetonitrileo-MethylbenzylcyanideEINECS 244-937-5NSC 75859
Weitere Namen anzeigen
O-XYLYL CYANIDETolylacetonitrile(2-METHYLPHENYL)ACETONITRILE2-Tolylacetonitrileo-tolyl-acetonitril-Methylbenzylcyanide2-Methylbenzyl cyani2-tolylmethylnitrile
BRN 0907182P36Y8LY38YAI3-33244NSC-75859O-METHYLBENZYL NITRILEDTXSID801768984-09-00-01791 (Beilstein Handbook Reference)RefChem:461603

Datenbank-Bezeichner

CAS
22364-68-7
PubChem CID
31155
DTXSID
DTXSID80176898
ChEBI
CHEBI:27982
UNII
P36Y8LY38Y
EC Number
244-937-5
Nikkaji
J55.009D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,1
Polarare Oberfläche (TPSA)
23,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
142 · 142-143 °C
Siedepunkt
244 · 244-250 °C
Dichte
1.056 g/mL · 1.056 g/mL at 25 °C(lit.)
Brechungsindex
1.5264 · 1.5264-1.5284
Flammpunkt
110 °C · >110°C
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (95.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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

Hazard Classes and CategoriesAcute Tox. 4 (95.7%);Acute Tox. 4 (95.7%);Skin Irrit. 2 (95.7%);Eye Irrit. 2 (95.7%);Acute Tox. 4 (95.7%);STOT SE 3 (95.7%)

Sicherheitsdaten

ridadr
3439
hs_code
29269090
RTECS-Nr.
AM2290000
risk_code
20/21/22-36/37/38
Toxizität
mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02089,
hazard_code
Xn

Chemie und Industrie

Anwendungen

Verwendeno-Tolylacetonitrile is used as an important raw material and intermediate in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as an organic and chemical intermediate.

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-methylphenyl group.

Zugehörige Reaktionen

17

Verknüpfte Notizen

Wird geladen…