CAS 349-59-7 3,5-Bis(trifluoromethyl)styrene (HCID 2773242)

基本情報

CAS: 349-59-7
標準SMILES: C=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: LFICVUCVPKKPFF-UHFFFAOYSA-N
分子式: C10H6F6
平均分子量: 240.14 g/mol
単同位体質量: 240.03736951

名称と識別子

優先名称: 3,5-Bis(trifluoromethyl)styrene
IUPAC: 1-ethenyl-3,5-bis(trifluoromethyl)benzene
現地名: 3,5-ビス(トリフルオロメチル)スチレン
英語名: 3,5-Bis(trifluoromethyl)styrene
分子式: C10H6F6
分子量: 240.15

名称と別名

3,5-Bis(trifluoromethyl)styrene349-59-71-ethenyl-3,5-bis(trifluoromethyl)benzeneDTXSID90378301RefChem:486564DTXCID40329328620-624-21,3-bis(trifluoromethyl)-5-vinylbenzeneMFCD000755381,3-bis(trifluoromethyl)-5-vinyl-benzeneC10H6F6Aprepitant impurity 150

名称をさらに表示

3,5-ビス(トリフルオロメチル)スチレン3,5-BIS(TRIFLUOROMETHYL)STYR3,5-Bis(trifluoromethyl)styrene98%3,5-Bis(trifluoromethyl)styrene 98%3,5-Bis(Trifluoromethyl)Styrene, Stab.3,5-Bis(trifluoromethyl)-1-vinylbenzene3,5-Bis(trifluoromethyl)styrene, 98%, stab.3,5-Bis(trifluoromethyl)styrene, stabilized

SCHEMBL347778SCHEMBL54687653,5-Bis(trifluromethyl)styreneCHEMBL4640448SCHEMBL16958401SBB099229AKOS015852647AC-26210

データベース識別子

CAS: 349-59-7
PubChem CID: 2773242
DTXSID: DTXSID90378301
ChEMBL: CHEMBL4640448
EC Number: 620-624-2
Nikkaji: J1.105.521D

物性

構造計算による物性

XLogP: 4.5
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 229

物理化学的性質

融点: 7 · 7-8 °C(lit.)
沸点: 60 °C20 · 60 °C20 mm Hg(lit.)
比重(密度): 1.334 g/mL · 1.334 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.425(lit.)
闪点: 122 °F · 122 °F
貯蔵温度: 2 · 2-8°C
水溶解度: 水にやや溶けにくい。
CAS データベース: 349 · 349-59-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.