m-トルニトリル

3-Tolunitrile

HCID 12104CAS 620-22-4

基本情報

標準SMILES
Cc1cccc(C#N)c1
InChIKey
BOHCMQZJWOGWTA-UHFFFAOYSA-N
分子式
C8H7N
平均分子量
117.15 g/mol
単同位体質量
117.05784922

概要

M-tolunitrile is a clear, yellow liquid. (NTP, 1992)

名称と識別子

優先名称
3-Tolunitrile
IUPAC
3-methylbenzonitrile
現地名
m-トルニトリル
英語名
m-Tolunitrile
分子式
C8H7N
分子量
117.15

名称と別名

m-Tolunitrile3-METHYLBENZONITRILE620-22-4m-Cyanotoluene3-CyanotolueneBenzonitrile, 3-methyl-3-Tolunitrilem-Toluonitrilem-Methylbenzonitrilem-Toluenenitrilem-Tolylnitrilem-Tolynitrile
名称をさらに表示
m-トルニトリル3-メチルベンゾニトリルm-トリルシアニド1-メチル-3-シアノベンゼン3-メチルベンゼンカルボニトリルm-シアノトルエン1-シアノ-3-メチルベンゼン3-シアノトルエンmトルニトリルM‐トルニトリルm-メチルベンゾニトリルMCTCNTMTNHHF7MCT1D
1-Methyl-3-cyanobenzene3-ToluenkarbonitrilNitril kyseliny m-toluylove3-Toluenkarbonitril [Czech]NSC 75453CCRIS 4736DTXSID6026167AH2J4VY1AK

データベース識別子

CAS
620-22-4
PubChem CID
12104
DTXSID
DTXSID6026167
ChEMBL
CHEMBL1229944
UNII
AH2J4VY1AK
EC Number
210-631-5
Nikkaji
J45.958E

物性

構造計算による物性

XLogP
2.4
極性表面積
23.8 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
0
重原子数
9

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density1.0316 at 68 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 77 °F (NTP, 1992)
Flash Point188 °F (NTP, 1992)
Boiling Point415 °F at 760 mmHg (NTP, 1992)

物理化学的性質

融点
23 °C · −23 °C(lit.)
沸点
99 · 99-101 °C20 mm Hg(lit.)
比重(密度)
0.976 g/mL · 0.976 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.525(lit.)
闪点
188 °F · 188 °F
外見
液体

化学的性質

化学的特性CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

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

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This chemical causes skin irritation on contact. (NTP, 1992)
Hazards SummaryA mild skin and severe eye irritant in rabbits; [EPA ChAMP: Screening-Level Hazard Characterization] An irritant; [Alfa Aesar MSDS] See m-Phthalodinitrile. See NITRILES.
Reactive GroupNitriles
Reactivity Profile · 1 件

Nitriles, such as M-TOLUNITRILE, may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.

Air and Water ReactionsInsoluble in water.

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide, foam or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

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 件

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.

Personal Protective Equipment (PPE) · 1 件

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)

安全データ

wgk
3
tsca
TSCA listed
rtecs
XV0525000
ridadr
3276
hs_code
29269095
risk_code
20/21/22-36/37/38-36/38

化学と産業

用途と製造

UsesUsed as a closed system intermediate (produced and consumed onsite) in the manufacture of Chlorothalonil (fungicide); [EPA ChAMP: Screening-Level Hazard Characterization]
General Manufacturing InformationBenzonitrile, 3-methyl-: ACTIVE

応用分野

一般的な説明Clear, yellow liquid.

調製方法

純化方法Dry the nitrile with MgSO4, fractionally distil it, then wash it with aqueous acid to remove possible traces of amines, dry and redistil it. [Beilstein 9 H 477, 9 I 191, 9 II 325, 9 III 2324, 9 IV 1717.]

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

関連反応

22 件

関連ノート

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