CAS 35853-45-3 4-Bromo-2,8-bis(trifluoromethyl)quinoline (HCID 4071242)

基本情報

CAS: 35853-45-3
標準SMILES: FC(F)(F)c1cc(Br)c2cccc(C(F)(F)F)c2n1
InChIKey: DXALAFAFIXJDOS-UHFFFAOYSA-N
分子式: C11H4BrF6N
平均分子量: 344.05 g/mol
単同位体質量: 342.94313

名称と識別子

優先名称: 4-Bromo-2,8-bis(trifluoromethyl)quinoline
IUPAC: 4-bromo-2,8-bis(trifluoromethyl)quinoline
現地名: 2，8ビス（トリフルオロメチル）4ブロモキノリン
英語名: 2,8-Bis(trifluoromethyl)-4-bromoquinoline
分子式: C11H4BrF6N
分子量: 344.05

名称と別名

4-Bromo-2,8-bis(trifluoromethyl)quinoline35853-45-3DTXSID60399008RefChem:98046DTXCID20349867609-183-72,8-Bis(trifluoromethyl)-4-bromoquinolineMFCD00075340C11H4BrF6NCC-PMLSC-DMA-P1084-bromo-2,8-bistrifluoromethylquinolineSCHEMBL2790491

名称をさらに表示

2，8ビス（トリフルオロメチル）4ブロモキノリン2,8-ビス(トリフルオロメチル)-4-ブロモキノリン4-ブロモ-2,8-ビス(トリフルオロメチル)キノリン2,8-BIS(TRIFL)-4-BROMOQUINOL1-METHYL-3-(AMINOMETHYL)PIPERIDINE2,8-BIS(TRIFLUOROMETHYL)-4-BROMOQUINOLIN4-Bromo-2,8-bis(trifluoromethyl)quinoline, >=98%2,8-BIS(TRIFLUOROMETHYL)-4-BROMOQUINOLINE ISO 9001：2015 REACH

BDBM35448cid_4071242AKOS015853172AB02869SY023885CS-0155815Quinoline, 4-bromo-2,8-bis(trifluoromethyl)-Quinoline, 4-bromo

データベース識別子

CAS: 35853-45-3
PubChem CID: 4071242
DTXSID: DTXSID60399008
EC Number: 609-183-7
Nikkaji: J2.126.740F

物性

構造計算による物性

XLogP: 4.7
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 0
重原子数: 19
形式電荷: 0
複雑度: 328

物理化学的性質

融点: 62 · 62-64 °C(lit.)
沸点: 281.6 · 281.6±35.0 °C(Predicted)
比重(密度): 1.72 · 1.720±0.06 g/cm3(Predicted)
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: 結晶性粉末
酸解離定数(Pka): -3.67 · -3.67±0.50(Predicted)
色: オフホワイトからイエロー

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 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.