2-Phenylpropiononitril

2-Phenylpropionitrile

HCID 15761CAS 1823-91-2

Grundinformationen

Standard-SMILES
CC(C#N)c1ccccc1
InChIKey
NVAOLENBKNECGF-UHFFFAOYSA-N
Summenformel
C9H9N
Durchschnittliche Molmasse
131,17 g/mol
Monoisotopische Masse
131,07349929

Namen und Bezeichner

Bevorzugter Name
2-Phenylpropionitrile
IUPAC
2-phenylpropanenitrile
Lokaler Name
2-Phenylpropiononitril
Englischer Name
alpha-Methylphenylacetonitrile
Summenformel
C9H9N
Molmasse
131.17

Namen und Synonyme

1823-91-22-PHENYLPROPIONITRILEBenzeneacetonitrile, alpha-methyl-DTXSID10870913RefChem:89101DTXCID30818594217-354-92-Phenylpropanenitrilealpha-Methylphenylacetonitrilealpha-Methylbenzyl cyanideHydratroponitrileMFCD00001871
Weitere Namen anzeigen
alpha-MethylbenzylBenzeneacetonitrile, α-Methyl-NSC 11264NSC 374853-Benzoyl-αα-CyanoethylbenzeneA-METHYLBENZYL CYANIDEà-methylbenzyl cyanide
Benzeneacetonitrile, .alpha.-methyl-A-Methylphenylacetonitrile.alpha.-Phenylpropionitrile.alpha.-Phenylethyl cyanide.alpha.-Methylbenzyl cyanide2-Phenylpropiononitrilea-methylbenzylcyanidealpha-Phenylpropionitrile

Datenbank-Bezeichner

CAS
1823-91-2
PubChem CID
15761
DTXSID
DTXSID10870913
EC Number
217-354-9
Nikkaji
J76.365I

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

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1227

2038

Physikochemische Eigenschaften

Schmelzpunkt
210 °C · 210 °C(Solv: ethyl ether (60-29-7); chloroform (67-66-3))
Siedepunkt
231 °C · 231 °C
Dichte
0.985 g/mL · 0.985 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.5106(lit.)
Flammpunkt
201 °F · 201 °F
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (10%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (10%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (90%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (96%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (10%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (90%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (84%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, 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 50 reports by companies from 9 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 InformationStatus: Active Update: 12-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29457
Hazard Classes and CategoriesAcute Tox. 3 (10%);Acute Tox. 4 (90%);Acute Tox. 3 (10%);Acute Tox. 4 (90%);Skin Irrit. 2 (96%);Eye Irrit. 2 (98%);Acute Tox. 3 (10%);Acute Tox. 4 (90%);STOT SE 3 (84%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 12-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29457

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3276 6.1/PG 3
hs_code
29269090
risk_code
20/21/22-36/37/38
hazard_code
Xn,Xi

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzeneacetonitrile, .alpha.-methyl-: INACTIVE

Anwendungen

Verwenden2-Phenylpropionitrile (cas# 1823-91-2) is a compound useful in organic synthesis.

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]
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

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