1,2,4,5-テトラフルオロ-3-メチルベンゼン

2,3,5,6-Tetrafluorotoluene

HCID 78896CAS 5230-78-4

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1c(F)c(F)cc(F)c1F
InChIKey: POMGTQLCZJZYAM-UHFFFAOYSA-N
分子式: C7H4F4
平均分子量: 164.1 g/mol
単同位体質量: 164.02491278

名称と識別子

優先名称: 2,3,5,6-Tetrafluorotoluene
IUPAC: 1,2,4,5-tetrafluoro-3-methylbenzene
現地名: 1,2,4,5-テトラフルオロ-3-メチルベンゼン
英語名: 2,3,5,6-Tetrafluorotoluene
分子式: C7H4F4
分子量: 164.1

名称と別名

2,3,5,6-Tetrafluorotoluene5230-78-41,2,4,5-Tetrafluoro-3-methylbenzeneBenzene, 1,2,4,5-tetrafluoro-3-methyl-344KT4ZU8TEINECS 226-028-5NSC-97004DTXSID80200329NSC 97004RefChem:81379DTXCID30122820226-028-5

名称をさらに表示

1,2,4,5-テトラフルオロ-3-メチルベンゼン2,3,5,6-テトラフルオロトルエン2,3,5,6-Tetrafluorotoluene98%2,3,5,6-Tetrafluorotoluene 98%

POMGTQLCZJZYAM-UHFFFAOYSA-NMFCD00000313NSC97004UNII-344KT4ZU8TSCHEMBL169896SCHEMBL295026SCHEMBL472940SBB087757

データベース識別子

CAS: 5230-78-4
PubChem CID: 78896
DTXSID: DTXSID80200329
UNII: 344KT4ZU8T
EC Number: 226-028-5
Nikkaji: J297.946B

物性

構造計算による物性

XLogP: 2.7
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 124

物理化学的性質

融点: -40 °C · -40°C
沸点: 125 · 125-126 °C(lit.)
比重(密度): 1.347 g/mL · 1.347 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.42(lit.)
闪点: 74 °F · 74 °F
貯蔵温度: Flammables area
外見: liquid
比重: 1.347 · 1.347
色: Clear, colourless
CAS データベース: 5230 · 5230-78-4(CAS DataBase Reference)

化学的性質

化学的特性colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 39 reports by companies from 2 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 CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)