Chloropentafluorobenzene (HCID 9579)

名称と識別子

優先名称: Chloropentafluorobenzene
IUPAC: 1-chloro-2,3,4,5,6-pentafluorobenzene
現地名: クロロペンタフルオロベンゼン
英語名: Chloropentafluorobenzene
分子式: C6ClF5
分子量: 202.51

名称と別名

CHLOROPENTAFLUOROBENZENE344-07-0PentafluorochlorobenzeneBenzene, chloropentafluoro-Pentafluorophenyl chloride3D8A2YE2U8NSC-96886DTXSID4059837Benzene, 1-chloro-2,3,4,5,6-pentafluoro-RefChem:125467DTXCID4038841206-450-6

名称をさらに表示

クロロペンタフルオロベンゼン1-クロロ-2,3,4,5,6-ペンタフルオロベンゼン1-クロロペンタフルオロベンゼンペンタフルオロフェニルクロリドペンタフルオロクロロベンゼン2,3,4,5,6-ペンタフルオロ-1-クロロベンゼン1,2,3,4,5-ペンタフルオロ-6-クロロベンゼンクロロペンタフルオロベンゼン, 99%oropentafLChloropentafluorobenChlorpentafluorbenzolpentaflurobenzoic acidPentafluorochlorobenzolchloropentafluoro-benzen

1-Chloro-2,3,4,5,6-pentafluorobenzeneChloroperfluorobenzeneC6ClF5MFCD000005341-chloro-2,3,4,5,6-pentafluoro-benzenepentafluorophenylchloride1,2,3,4,5-Pentafluoro-6-chlorobenzeneUNII-3D8A2YE2U8

データベース識別子

CAS: 344-07-0
PubChem CID: 9579
DTXSID: DTXSID4059837
UNII: 3D8A2YE2U8
EC Number: 206-450-6
Nikkaji: J95.789E

物性

構造計算による物性

XLogP: 3.1
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: 12
形式電荷: 0
複雑度: 150

実験および物理化学的性質

Kovats Retention Index748

物理化学的性質

融点: -15.66 °C · -15.66°C
沸点: 122 · 122-123 °C/750 mmHg (lit.)
比重(密度): 1.568 g/mL · 1.568 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.424(lit.)
闪点: 116 · 116-118°C
貯蔵温度: Refrigerator
外見: 液体
色: 無色透明
比重: 1.651 · 1.651.568
BRN: 1819389 · 1819389
InChI: InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey: KGCDGLXSBHJAHZ-UHFFFAOYSA-N
SMILES: C1(Cl)=C(F)C(F)=C(F)C(F)=C1F
CAS データベース: 344 · 344-07-0(CAS DataBase Reference)
EPAの化学物質情報: Benzene, chloropentafluoro- (344-07-0)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.2%): 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 42 reports by companies from 5 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

Hazard Classes and CategoriesSkin Irrit. 2 (95.2%)；Eye Irrit. 2 (95.2%)；STOT SE 3 (95.2%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: CZ1225500
毒性: dns-rat:lvr 10 mg/L NTIS** AD-A165-849
hs_code: 29039990
risk_code: 20-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 23-24/25-26
Hazard Classifications: Acute Tox. 3 Inhalation
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1-chloro-2,3,4,5,6-pentafluoro-: INACTIVE

応用分野 · 3 件

用途有機合成原料。

使用Chloropentafluorobenzene has been used in the preparation of:1,2-difluoro-1,2-bis-(pentafluorophenyl)dichlorane via fluorination with elemental fluorine at 128°C5-chloro-1-(difluorochloro)-2,3,4,5,6,6-hexafluoro-1,3-cyclohexadiene via reaction with chlorine trifluoride at 78°C

一般的な説明Reaction between chloropentafluorobenzene and strong N-bases in polar aprotic solvents and in the presence of water has been investigated. Chloropentafluorobenzene on reaction with ammonia yields 4-chloro-2,3,5,6-tetrafluoroaniline and 2-chloro-3,4,5,6-tetrafluoroaniline.