CAS 40817-08-1 4-Cyano-4'-pentylbiphenyl (HCID 92319)

名称と識別子

優先名称: 4-Cyano-4'-pentylbiphenyl
IUPAC: 4-(4-pentylphenyl)benzonitrile
現地名: 4-シアノ-4'-ペンチルビフェニル
英語名: 4-Cyano-4'-pentylbiphenyl
分子式: C18H19N
分子量: 249.35

名称と別名

40817-08-14-Cyano-4'-pentylbiphenyl[1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl-p-Cyano-p'-pentylbiphenyl4-n-pentyl-4'-cyanobiphenyl2R6RYG3ZGM4'-Pentyl[1,1'-biphenyl]-4-carbonitrile(1,1'-Biphenyl)-4-carbonitrile, 4'-pentyl-DTXSID30682554'-Pentyl(1,1'-biphenyl)-4-carbonitrileRefChem:98646DTXCID4039817

名称をさらに表示

4-シアノ-4'-ペンチルビフェニル4-ペンチル-4'-シアノビフェニル4'-ペンチル-4-シアノビフェニル4-(4-ペンチルフェニル)ベンゾニトリル4-ペンチルビフェニル-4'-カルボニトリル4'-ペンチルビフェニル-4-カルボニトリル4'-ペンチル[1,1'-ビフェニル]-4-カルボニトリル4'-アミルビフェニル-4-カルボニトリル4-ペンチル-4'-シアノ-1,1'-ビフェニル4'-ペンチル-1,1'-ビフェニル-4-カルボニトリル4'-ペンチル-4-ビフェニルカルボニトリル4’-N-ペンチル-4-シアノビフェニル4’nペンチル4シアノビフェニル4'-N-プロピル-4-ビフェニルカルボニトリル４ペンチル４’シアノビフエニル4-アミル-4'-シアノビフェニル4'-アミル-4-ビフェニルカルボニトリル4‐シアノ‐4′‐ペンチルビフェニル4-シアノ-4'-N-ペンチルビフェニル4′-ペンチル-4-ビフェニルカルボニトリル5CBCB5RO-CM-51154-Cyano-4'-pentyLTIMTEC-BB SBB008542Amyl biphenyl nitrile4-AMYL-4'-CYANOBIPHENYL4-cyano-4-pentylbiphenyPentyl biphenyl nitrile

255-093-24'-Pentyl-[1,1'-biphenyl]-4-carbonitrile4-Cyano-4'-n-pentylbiphenyl4-(4-pentylphenyl)benzonitrile4'-Pentyl-4-biphenylcarbonitrile4-Pentyl-4'-cyanobiphenylMFCD000363504'-pentylbiphenyl-4-carbonitrile

データベース識別子

CAS: 40817-08-1
PubChem CID: 92319
DTXSID: DTXSID3068255
UNII: 2R6RYG3ZGM
EC Number: 255-093-2
Nikkaji: J21.996G

物性

構造計算による物性

XLogP: 5.4
極性表面積: 23.8 Å²
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: 5
重原子数: 19
形式電荷: 0
複雑度: 284

物理化学的性質

融点: 34 °C · 34 °C
沸点: 140 · 140-150 °C0.5 mm Hg(lit.)
比重(密度): 1.008 g/mL · 1.008 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.532(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 液晶（ネマティック）
色: オフホワイト
水溶解度: 不溶性
InChI: InChI=1S/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3
InChIKey: HHPCNRKYVYWYAU-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(CCCCC)C=C2)=CC=C(C#N)C=C1
CAS データベース: 40817 · 40817-08-1(CAS DataBase Reference)
NISTの化学物質情報: 1 · [1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl-(40817-08-1)
EPAの化学物質情報: 1 · [1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl- (40817-08-1)

化学的性質

化学的特性white to light yellow crysta

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (83.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (83.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (74.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (16.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (74.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (83.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (74.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 8 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

Regulatory InformationChemical: [1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl-

Hazard Classes and CategoriesAcute Tox. 4 (83.6%)；Acute Tox. 4 (83.6%)；Skin Irrit. 2 (74.5%)；Skin Sens. 1 (16.4%)；Eye Irrit. 2 (74.5%)；Acute Tox. 4 (83.6%)；STOT SE 3 (74.5%)

法規制情報

Regulatory InformationChemical: [1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl-

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 3276
hs_code: 29269090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 23-26-28-36-36/37/39
hazard_class: 6.1
packing_group: III
Hazard Classifications: Skin Sens. 1
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing Information[1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用Intermediates of Liquid Crystals

一般的な説明4′-Pentyl-4-biphenylcarbonitrile (5CB) is a nematic liquid crystal. 5CB undergoes phase transition from crystalline to nematic then to isotropic state at 18oC and 35oC respectively. It may be produced by modifying biphenyl.2

上流・下流製品情報

上流原料

硝酸マグネシウム·6水和物ヨウ素アンモニア N,N-ジメチルホルムアミド 4-ブロモ-4'-ペンチルビフェニル

サプライヤー100 社

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]

INTATRADE GmbH+49 3493/605464 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

化合物ノート

読み込み中…

4-シアノ-4'-ペンチルビフェニル

基本情報