CAS 1548-62-5 2-Nitro-6-(trifluoromethyl)phenol (HCID 901834)

基本情報

CAS: 1548-62-5
標準SMILES: O=[N+]([O-])c1cccc(C(F)(F)F)c1O
InChIKey: FMPKXGYPBUWNNG-UHFFFAOYSA-N
分子式: C7H4F3NO3
平均分子量: 207.11 g/mol
単同位体質量: 207.01432765

名称と識別子

優先名称: 2-Nitro-6-(trifluoromethyl)phenol
IUPAC: 2-nitro-6-(trifluoromethyl)phenol
英語名: 2-nitro-6-(trifluoromethyl)phenol
分子式: C7H4F3NO3
分子量: 207.11

名称と別名

2-nitro-6-(trifluoromethyl)phenol1548-62-52-Hydroxy-3-nitrobenzotrifluorideMFCD05155649Phenol, 2-nitro-6-(trifluoromethyl)-2-Hydroxy-3-(trifluoromethyl)nitrobenzene, 2-Nitro-6-(trifluoromethyl)phenolAJ-087/41885594SCHEMBL1035622-nitro-6-trifluoromethylphenol2-trifluoromethyl-6-nitrophenol6-trifluoromethyl-2-nitrophenol2-Nitro-6-trifluoromethyl-phenol

名称をさらに表示

DTXSID40358537SBB0938002-Hydroxy-3-nitrobenzotrifluoride99%AKOS016005038CS-W021734DS-4022SY111038DB-064060

データベース識別子

CAS: 1548-62-5
PubChem CID: 901834
DTXSID: DTXSID40358537
EC Number: 116-594-0

物性

構造計算による物性

XLogP: 2.8
極性表面積: 66.1 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 225

物理化学的性質

融点: 71.2 · 71.2-72.0 °C
沸点: 195.1 · 195.1±35.0 °C(Predicted)
比重(密度): 1.554 · 1.554±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: crystalline solid
酸解離定数(Pka): 5.23 · 5.23±0.10(Predicted)
色: Bright yellow

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.