o-キシリル シアニド

2-(o-Tolyl)acetonitrile

HCID 31155CAS 22364-68-7

基本情報

標準SMILES
Cc1ccccc1CC#N
InChIKey
WMGVPDQNPUQRND-UHFFFAOYSA-N
分子式
C9H9N
平均分子量
131.17 g/mol
単同位体質量
131.07349929

名称と識別子

優先名称
2-(o-Tolyl)acetonitrile
IUPAC
2-(2-methylphenyl)acetonitrile
現地名
o-キシリル シアニド
英語名
2-Methylbenzyl cyanide
分子式
C9H9N
分子量
131.17

名称と別名

2-Methylbenzyl cyanide22364-68-72-(o-Tolyl)acetonitrileo-Tolylacetonitrile2-Methylphenylacetonitrileo-MethylphenylacetonitrileBenzeneacetonitrile, 2-methyl-ACETONITRILE, o-TOLYL-2-Methylbenzeneacetonitrileo-MethylbenzylcyanideEINECS 244-937-5NSC 75859
名称をさらに表示
o-キシリル シアニドo-トリルアセトニトリル(2-メチルフェニル)アセトニトリルo-メチルベンジルシアニド2-メチルベンゼンアセトニトリル2-メチルフェニルアセトニトリル2-o-トリルアセトニトリルシアン化2-メチルベンジル2メチルベンジルシアニドo-キシリルシアニド2-メチルベンジルシアニドO-トリルアセトニトリル, 98+%2-(2-メチルフェニル)アセトニトリルo-メチルフェニルアセトニトリル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

データベース識別子

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

物性

構造計算による物性

XLogP
2.1
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
1
重原子数
10

物理化学的性質

融点
142 · 142-143 °C
沸点
244 · 244-250 °C
比重(密度)
1.056 g/mL · 1.056 g/mL at 25 °C(lit.)
屈折率
1.5264 · 1.5264-1.5284
闪点
110 °C · >110°C
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性clear colorless to orange-reddish liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

安全データ

rtecs
AM2290000
ridadr
3439
毒性
mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02089,
hs_code
29269090
risk_code
20/21/22-36/37/38
消防法
危-4-3-III

化学と産業

応用分野

用途有機合成原料。

使用o-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.

サプライヤー50 社

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]

補足説明

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

関連反応

17 件

関連ノート

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