CAS 85070-67-3 2-Fluoro-4-methylbenzonitrile (HCID 2778443)

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-4-methylbenzonitrile
IUPAC: 2-fluoro-4-methylbenzonitrile
Englischer Name: 2-Fluoro-4-methylbenzonitrile
Summenformel: C8H6FN
Molmasse: 135.14

Namen und Synonyme

2-Fluoro-4-methylbenzonitrile85070-67-3DTXSID40380934RefChem:260944DTXCID70331959678-781-84-Cyano-3-fluorotoluene2-fluoro-4-methyl-benzonitrileMFCD03094311BENZONITRILE, 2-FLUORO-4-METHYL-2-fluoro-4-methylbenzenecarbonitrile4-Methyl-2-fluorobenzonitrile

Weitere Namen anzeigen

2-Fluoro-4-methylben2-Fluoro-4-methylbenzonitrile>Benzonitrile, 2-fluoro-4-methyl-2-Fluoro-4-methylbenzonitrile98%2-Fluoro-4-methylbenzonitrile 98%

2-Fluoro-p-tolunitrileSCHEMBL30985SCHEMBL5188692-Fluoro-4-methylbenzonitirileWCGNLBCJPBKXCN-UHFFFAOYSA-NAB2851SBB064084AKOS006229602

Datenbank-Bezeichner

CAS: 85070-67-3
PubChem CID: 2778443
DTXSID: DTXSID40380934
EC Number: 678-781-8
Nikkaji: J433.312H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 158

Physikochemische Eigenschaften

Schmelzpunkt: 52 · 52-53°C
Siedepunkt: 219.6 · 219.6±20.0 °C(Predicted)
Dichte: 1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
Wasserlöslichkeit: Insoluble in water, soluble in chloroform, acetone and other organic solvents.
InChI: InChI=1S/C8H6FN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3
InChIKey: WCGNLBCJPBKXCN-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(C)C=C1F
CAS Datenbank: 85070 · 85070-67-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301+H311+H331 (16.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (83.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (33.3%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (83.3%): 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, P305+P354+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 6 reports by companies from 3 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. 3 (16.7%)；Acute Tox. 4 (83.3%)；Acute Tox. 3 (16.7%)；Acute Tox. 4 (83.3%)；Skin Irrit. 2 (83.3%)；Eye Dam. 1 (16.7%)；Eye Irrit. 2 (83.3%)；Acute Tox. 3 (33.3%)；STOT SE 3 (83.3%)