4-(ジエチルアミノ)ベンゾニトリル

4-(Diethylamino)benzonitrile

HCID 76134CAS 2873-90-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CCN(CC)c1ccc(C#N)cc1
InChIKey: KMLGFOAKCYHXCQ-UHFFFAOYSA-N
分子式: C11H14N2
平均分子量: 174.24 g/mol
単同位体質量: 174.11569845

名称と識別子

優先名称: 4-(Diethylamino)benzonitrile
IUPAC: 4-(diethylamino)benzonitrile
現地名: 4-(ジエチルアミノ)ベンゾニトリル
英語名: 4-Diethylaminobenzonitrile
分子式: C11H14N2
分子量: 174.24

名称と別名

4-(Diethylamino)benzonitrile2873-90-7Benzonitrile, 4-(diethylamino)-p-DiethylaminobenzonitrileEINECS 220-712-7DTXSID90182889NSC 32450RefChem:97427DTXCID80105380220-712-7KMLGFOAKCYHXCQ-UHFFFAOYSA-N4-Diethylaminobenzonitrile

名称をさらに表示

4-(ジエチルアミノ)ベンゾニトリル4-ジエチルアミノベンゾニトリル4-ジエチルアミノベンゾニトリル, 97%P-(DIETHYLAMINO)BENZONITRILE4-Diethylaminobenzonitrile-97%N-[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester

MFCD000197544-(diethylamino)benzenecarbonitrileNSC32450Maybridge3_004418p-CyandiA currencythylanilinSCHEMBL63804HMS1443I18CCG-46568

データベース識別子

CAS: 2873-90-7
PubChem CID: 76134
DTXSID: DTXSID90182889
EC Number: 220-712-7
Nikkaji: J306.792K

物性

構造計算による物性

XLogP: 2.9
極性表面積: 27 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 180

実験および物理化学的性質

SpringerMaterials PropertiesLuminescence

物理化学的性質

融点: 66 · 66-67°C
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Methanol
BRN: 973913 · 973913

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301+H311+H331 (20%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (20%)

安全データ

ridadr: 3276
hs_code: 2926907090
risk_code: 20/21/22-22
hazard_code: Xn
safety_code: 22-36/37
hazard_class: 6.1
packing_group: III
毒劇物取締法: 劇物

化学と産業

応用分野

使用4-(Diethylamino)benzonitrile

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