o-Toluonitril

2-Methylbenzonitrile

HCID 10721CAS 25550-22-5

Grundinformationen

Standard-SMILES
Cc1ccccc1C#N
InChIKey
NWPNXBQSRGKSJB-UHFFFAOYSA-N
Summenformel
C8H7N
Durchschnittliche Molmasse
117,15 g/mol
Monoisotopische Masse
117,05784922

Überblick

O-tolunitrile is a light blue clear liquid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
2-Methylbenzonitrile
IUPAC
2-methylbenzonitrile
Lokaler Name
o-Toluonitril
Englischer Name
o-Tolunitrile
Summenformel
C8H7N
Molmasse
117.15

Namen und Synonyme

o-Tolunitrile2-METHYLBENZONITRILE529-19-12-Cyanotolueneo-Methylbenzonitrileo-Cyanotoluene2-Tolunitrileo-Tolylnitrile2-Methylbenzenecarbonitrileo-Toluic nitrileBenzonitrile, 2-methyl-DTXSID6022050
Weitere Namen anzeigen
CNTbenzonitrile,2-methyl-unitriLo-Tolunitril
3048F2A3KTNSC-66549DTXCID702050RefChem:855336208-451-7o-Toluonitrileo-tolyl cyanide1-Methyl-2-cyanobenzene

Datenbank-Bezeichner

CAS
25550-22-5、529-19-1
PubChem CID
10721
DTXSID
DTXSID6022050
ChEMBL
CHEMBL1361840
UNII
3048F2A3KT
EC Number
208-451-7
Nikkaji
J6.679F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
23,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density0.9955 at 68 °F (NTP, 1992) - Less dense than water; will float
Solubilityless than 1 mg/mL at 63 °F (NTP, 1992)
Flash Point184 °F (NTP, 1992)
Boiling Point401 °F at 760 mmHg (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
-13 °C · -13 °C
Siedepunkt
205 °C · 205 °C(lit.)
Dichte
0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.5279(lit.)
Flammpunkt
184 °F · 184 °F
storage temp.
30 °C · Store below +30°C.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 149 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzonitrile, 2-methyl-

2-Tolunitrile: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Hazards SummaryCauses spastic paralysis and convulsions in subcutaneous lethal-dose studies of rabbits; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See m-Tolunitrile.
Reactive GroupNitriles

Sicherheit und Schutzausrüstung

Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
3276
hs_code
29269095
RTECS-Nr.
XV0600000
risk_code
38-52/53-36/37/38

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzonitrile, 2-methyl-: ACTIVE

Anwendungen

Verwendeno-Tolyl Cyanide, is a versatile intermediate, used in the synthesis of various pharmaceutical and biologically active compounds. It can be used in the preparation of highly efficient triarylene conjugated dyes for sensitized solar cells

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

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