4'-ノニルオキシ-1,1'-ビフェニル-4-カルボニトリル

(1,1'-Biphenyl)-4-carbonitrile, 4'-(nonyloxy)-

HCID 100887CAS 58932-13-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey: NJQLLUIPSJLJHY-UHFFFAOYSA-N
分子式: C22H27NO
平均分子量: 321.5 g/mol
単同位体質量: 321.20926449

名称と識別子

優先名称: (1,1'-Biphenyl)-4-carbonitrile, 4'-(nonyloxy)-
IUPAC: 4-(4-nonoxyphenyl)benzonitrile
現地名: 4'-ノニルオキシ-1,1'-ビフェニル-4-カルボニトリル
英語名: 4'-(nonyloxy)[1,1'-biphenyl]-4-carbonitrile
分子式: C22H27NO
分子量: 321.46

名称と別名

4-Cyano-4'-nonoxybiphenyl[1,1'-Biphenyl]-4-carbonitrile, 4'-(nonyloxy)-4'-(nonyloxy)[1,1'-biphenyl]-4-carbonitrileEINECS 261-503-0DTXSID60692944'-(Nonyloxy)(1,1'-biphenyl)-4-carbonitrile(1,1'-Biphenyl)-4-carbonitrile, 4'-(nonyloxy)-RefChem:204000DTXCID3042504261-503-058932-13-14-(4-nonoxyphenyl)benzonitrile

名称をさらに表示

4'-(ノニルオキシ)ビフェニル-4-カルボニトリル4'-(ノニルオキシ)[1,1'-ビフェニル]-4-カルボニトリルノニルオキシシアノビフェニル4'-(ノニルオキシ)-1,1'-ビフェニル-4-カルボニトリル4'-ノニルオキシ-1,1'-ビフェニル-4-カルボニトリル4'-シアノ-4-ノニルオキシビフェニル4'-(ノニルオキシ)-[1,1'-ビフェニル]-4-カルボニトリル4'-ノニルオキシ-4-ビフェニルカルボニトリル4′-(ノニルオキシ)ビフェニル-4-カルボニトリル4′-(ノニルオキシ)-1,1′-ビフェニル-4-カルボニトリル4′-(ノニルオキシ)[1,1′-ビフェニル]-4-カルボニトリル4′-ノニルオキシ-1,1′-ビフェニル-4-カルボニトリル4-ノニルオキシ-1,1′-ビフェニル-4′-カルボニトリルNonyloxycyanobiphenyl4'-[(Non-1-yl)oxy]-[1,1'-biphenyl]-4-carbonitrile

4'-Cyano-4-nonyloxybiphenyl9OCBMFCD003886584'-(NONYLOXY)-[1,1'-BIPHENYL]-4-CARBONITRILE4'-Nonyloxy-4-biphenylcarbonitrile4-(4-nonyloxyphenyl)benzenecarbonitrile4'-nonyloxy-4-cyanobiphenyl4-nonyloxy-4'-cyanobiphenyl

データベース識別子

CAS: 58932-13-1
PubChem CID: 100887
DTXSID: DTXSID6069294
EC Number: 261-503-0
Nikkaji: J308.570H

物性

構造計算による物性

XLogP: 7.2
極性表面積: 33 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: 10
重原子数: 24
形式電荷: 0
複雑度: 355

物理化学的性質

沸点: 467.5 · 467.5±38.0 °C(Predicted)
比重(密度): 1.02 · 1.02±0.1 g/cm3(Predicted)
外見: powder to crystal
色: White to Almost white
EPAの化学物質情報: 1 · [1,1'-Biphenyl]-4-carbonitrile, 4'-(nonyloxy)- (58932-13-1)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)

安全データ

tsca: TSCA listed
hs_code: 2926907090

化学と産業

用途と製造

General Manufacturing Information[1,1'-Biphenyl]-4-carbonitrile, 4'-(nonyloxy)-: INACTIVE

上流・下流製品情報

上流原料

4-シアノ-4'-ヒドロキシビフェニル 1-ブロモノナン

サプライヤー20 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

上海仲因实业有限公司2537653158 16621191650 · [email protected]

TCI AMERICA800-4238616 · [email protected]

TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]