2,4-ビス(トリフルオロメチル)ベンジルブロマイド臭化物

2,4-Bis(trifluoromethyl)benzyl bromide

HCID 518871

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 140690-56-8
標準SMILES: FC(F)(F)c1ccc(CBr)c(C(F)(F)F)c1
InChIKey: SWFFFUJOWAJJCH-UHFFFAOYSA-N
分子式: C9H5BrF6
平均分子量: 307.03 g/mol
単同位体質量: 305.94788

名称と識別子

優先名称: 2,4-Bis(trifluoromethyl)benzyl bromide
IUPAC: 1-(bromomethyl)-2,4-bis(trifluoromethyl)benzene
現地名: 2,4-ビス(トリフルオロメチル)ベンジルブロマイド臭化物
英語名: 2,4-Bis(trifluoromethyl)benzyl bromide
分子式: C9H5BrF6
分子量: 307.03

名称と別名

140690-56-82,4-Bis(trifluoromethyl)benzyl bromideDTXSID90333839RefChem:82223DTXCID00284929628-148-7SWFFFUJOWAJJCH-UHFFFAOYSA-N1-(Bromomethyl)-2,4-bis(trifluoromethyl)benzeneBENZENE, 1-(BROMOMETHYL)-2,4-BIS(TRIFLUOROMETHYL)-MFCD000103062,4-bis(trifluoromethyl)benzylbromide2,4-bis(trifluoromethyl)-1-(bromomethyl)benzene

名称をさらに表示

2,4-ビス(トリフルオロメチル)ベンジルブロマイド臭化物2,4-ビス(トリフルオロメチル)ベンジルブロミド2,4-ビス(トリフルオロメチル)ベンジル=ブロミド2,4-ビス(トリフルオロメチル)ベンジルブロマイド1772562,4-DI(TRIFLUOROMETHYL)BENZYL BROMIDE2,4-Bis(trifluoromethyl)benzylbromide98%2,4-Bis(trifluoromethyl)benzyl bromide 98%2,4-Bis(trifluoromethyl)benzyl bromide, 95%2,4-Bis(trifluoromethyl)benzyl bromide, 97+%

SCHEMBL627838CK1012SBB0709562,4-bis-trifluoromethyl-benzylbromideAKOS0158527562,4-bis-trifluoromethyl benzyl bromide2,4-bis-trifluoromethyl-benzyl bromidePS-9881

データベース識別子

CAS: 140690-56-8
PubChem CID: 518871
DTXSID: DTXSID90333839
EC Number: 628-148-7
Nikkaji: J2.652.113K

物性

構造計算による物性

XLogP: 4.2
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: 233

物理化学的性質

沸点: 112 °C · 112°C 0,2mm
比重(密度): 1.637 g/mL · 1.637 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.451(lit.)
闪点: 130 °F · 130 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: 液体
比重: 1.637 · 1.637
色: 無色透明～淡黄色
BRN: 7995492 · 7995492
InChI: 1S/C9H5BrF6/c10-4-5-1-2-6(8(11,12)13)3-7(5)9(14,15)16/h1-3H,4H2
InChIKey: SWFFFUJOWAJJCH-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(CBr)c(c1)C(F)(F)F
CAS データベース: 140690 · 140690-56-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,4-Bis(trifluoromethyl)benzyl bromide(140690-56-8)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (88.6%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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.

危険有害性情報

Regulatory InformationBenzene, 1-(bromomethyl)-2,4-bis(trifluoromethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (88.6%)；Skin Corr. 1B (100%)

法規制情報

Regulatory InformationBenzene, 1-(bromomethyl)-2,4-bis(trifluoromethyl)-: Does not have an individual approval but may be used under an appropriate group standard