Pentafluorobenzene (HCID 9696)

名称と識別子

優先名称: Pentafluorobenzene
IUPAC: 1,2,3,4,5-pentafluorobenzene
現地名: ペンタフルオロベンゼン
英語名: Pentafluorobenzene
分子式: C6HF5
分子量: 168.06

名称と別名

PENTAFLUOROBENZENE363-72-41,2,3,4,5-PentafluorobenzeneBenzene, pentafluoro-EINECS 206-658-7IH36LU53XSBenzene, 1,2,3,4,5-pentafluoro-NSC 88293NSC-88293DTXSID8059893363-88-2Benzene, pentafluoro

名称をさらに表示

ペンタフルオロベンゼン1,2,3,4,5-ペンタフルオロベンゼンペンタフルオロベンゼン STANDARDペンタフルオロベンゼン溶液ペンタフルオロベンゼン Standard, 0.2 mg/mL in MeOHペンタフルオロベンゼン, 99%48945Five fluorinePentafluorobenzolpentafluoro-benzenbenzene,pentafluoro-Pentafluorobenzene>Pentafluorobenzene,99%Pentafluorobenzene,98+%

RefChem:859801DTXCID4039154Benzene, 1,2,3,4,5pentafluoro206-658-7690-865-6C6HF5MFCD00000286UNII-IH36LU53XS

データベース識別子

CAS: 363-72-4、363-88-2
PubChem CID: 9696
DTXSID: DTXSID8059893
UNII: IH36LU53XS
EC Number: 206-658-7、690-865-6
Nikkaji: J40J

物性

構造計算による物性

XLogP: 2.5
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 125

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesCoriolis coupling

LogP2.53

Vapor Pressure67.6 [mmHg]

Physical DescriptionColorless liquid; [MSDSonline]

物理化学的性質

融点: -48 °C · -48 °C (lit.)
沸点: 85 °C · 85 °C (lit.)
比重(密度): 1.514 g/mL · 1.514 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.391(lit.)
闪点: 57 °F · 57 °F
貯蔵温度: room temp
溶解性: 0.4 g/l · 0.4g/l
外見: 液体
比重: 1.514 · 1.514
色: 無色
水溶解度: 水に不溶。
BRN: 1911549 · 1911549
Henry's Law Constant: 7.5 · 7.5×10-4 mol/(m3Pa) at 25℃, Hiatt (2013)
Dielectric constant: 4.36 · 4.3600000000000003
安定性: 安定。強力な酸化剤とは相容れない。とても燃えやすい。
InChI: 1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey: WACNXHCZHTVBJM-UHFFFAOYSA-N
SMILES: Fc1cc(F)c(F)c(F)c1F
CAS データベース: 363 · 363-72-4(CAS DataBase Reference)
NISTの化学物質情報: Benzene, pentafluoro-(363-72-4)
EPAの化学物質情報: Pentafluorobenzene (363-72-4)

化学的性質

化学的特性Clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 4.2% (1 of 24) of reports.

Danger

H225 (91.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 24 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

危険有害性情報

Regulatory InformationPentafluorobenzene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Harmful if swallowed; [MSDSonline]

Hazard Classes and Categories · 2 件

Flam. Liq. 2 (91.7%)

Flam. Liq. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: DA6651600
ridadr: UN 1993 3/PG 2
hs_code: 29036990
risk_code: 11-22-36/38-36/37/38-41-37/38-39/23/24/25-23/24/25
化審法: (3)-4337
消防法: 危-4-1-II
hazard_code: F,Xn,Xi,T
hazard_note: Flammable
safety_code: 26-37/39-16-39-45-36/37-7
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1,2,3,4,5-pentafluoro-: ACTIVE

応用分野 · 1 件

使用Pentafluorobenzene is a fluorinated benzene with anesthetic properties. Pentafluorobenzene has been shown to potently and reversibly inhibited human α4β2 neuronal nicotinic acetylcholine receptor depe ndent on drug hydrophobicity in Xenopus laevis oocyte.

調製方法

純化方法Purify it by distillation and by gas chromatography. IR film: 1535 and 1512 cm-1 (*C6H6 ring). [Stephen & Tatlow Chem Ind (London) 821 1957, Nield et al. J Chem Soc 166 1959, Beilstein 5 IV 639.]