CAS 1489-53-8 1,2,3-Trifluorobenzene (HCID 15147)

名称と識別子

優先名称: 1,2,3-Trifluorobenzene
IUPAC: 1,2,3-trifluorobenzene
現地名: 1,2,3-トリフルオロベンゼン
英語名: 1,2,3-Trifluorobenzene
分子式: C6H3F3
分子量: 132.08

名称と別名

1,2,3-TRIFLUOROBENZENEBenzene, 1,2,3-trifluoro-DTXSID90164125RefChem:71427DTXCID2086616625-446-9AJKNNUJQFALRIK-UHFFFAOYSA-N1489-53-8trifluorobenzeneC6H3F3MFCD00012013Benzene, trifluoro-

名称をさらに表示

1,2,3-トリフルオロベンゼン1，2，3トリフルオロベンゼン1,2,3‐トリフルオロベンゼン1,2,3-トリフルオロベンゼン, 98+%1,2,3-TrifL1,2,3-fluorobenzene1,2,3-Trifluorobenze1,2,3-Trilfuorobenzene1,2,3, Triflurobenzene1,2,3-Trifluorobenzene99%1,2,3-Trifluorobenzene 99%3-chloro-4-flurobenzonitrile

3,4,5-trifluoro-benzeneBenzene,1,2,3-trifluoro-3,4,5-trifluorobenzeneSCHEMBL78405SCHEMBL149721SCHEMBL180426SCHEMBL4304866SCHEMBL5167161

データベース識別子

CAS: 1489-53-8
PubChem CID: 15147
DTXSID: DTXSID90164125
EC Number: 625-446-9
Nikkaji: J149.700F

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: 3
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 84

物理化学的性質

沸点: 94 · 94-95 °C (lit.)
比重(密度): 1.28 g/mL · 1.28 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.423(lit.)
闪点: 25 °F · 25 °F
貯蔵温度: Flammables area
外見: clear liquid
色: Colorless to Light orange to Yellow
比重: 1.28 · 1.280
BRN: 1862388 · 1862388
安定性: 安定。とても燃えやすい。強力な酸化剤とは相容れない。
InChI: InChI=1S/C6H3F3/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKey: AJKNNUJQFALRIK-UHFFFAOYSA-N
SMILES: C1(F)=CC=CC(F)=C1F
CAS データベース: 1489 · 1489-53-8(CAS DataBase Reference)

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 5.8% (3 of 52) of reports.

Danger

H225 (92.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (90.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (92.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 52 reports by companies.；There are 9 notifications provided by 49 of 52 reports by companies with hazard statement code(s).；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 CategoriesFlam. Liq. 2 (92.3%)；Skin Irrit. 2 (90.4%)；Eye Irrit. 2 (92.3%)；STOT SE 3 (90.4%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 2
hs_code: 29039990
risk_code: 11-36/37/38
消防法: 危-4-1-II
hazard_code: F,Xi
hazard_note: Flammable
safety_code: 16-26-36/37/39-37/39-33-7/9
hazard_class: 3
packing_group: II
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

使用1,2, 3-trifluorobenzene is an organic fluorine compound, mainly used as an intermediate in the production of drugs, agricultural chemicals and dyes.

一般的な説明Crystal structure 1,2,3-trifluorobenzene was reported. The microwave spectrum of 1,2,3-trifluorobenzene was studied using a molecular beam Fourier transform microwave spectrometer. Laser-induced fluorescence spectra of the radical cation of 1,2,3-trifluorobenzene was determined in both the gas phase and solid Ne matrices.