2-フルオロ-1,3-ジメチル-5-ニトロベンゼン

2-Fluoro-1,3-dimethyl-5-nitrobenzene

HCID 11367232CAS 1736-85-2

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc([N+](=O)[O-])cc(C)c1F
InChIKey: VJEBIHTVWPSCEM-UHFFFAOYSA-N
分子式: C8H8FNO2
平均分子量: 169.15 g/mol
単同位体質量: 169.05390666

名称と識別子

優先名称: 2-Fluoro-1,3-dimethyl-5-nitrobenzene
IUPAC: 2-fluoro-1,3-dimethyl-5-nitrobenzene
現地名: 2-フルオロ-1,3-ジメチル-5-ニトロベンゼン
英語名: 2-Fluoro-1,3-diMethyl-5-nitrobenzene
分子式: C8H8FNO2
分子量: 169.15

名称と別名

2-Fluoro-1,3-dimethyl-5-nitrobenzene1736-85-2DTXSID20463653RefChem:260797DTXCID104144722-Fluoro-5-nitro-m-xyleneBenzene, 2-fluoro-1,3-dimethyl-5-nitro-MFCD220550062-fluoro-1,3-dimethyl-5-nitro-benzene3,5-dimethyl-4-fluoronitrobenzeneSCHEMBL76981VJEBIHTVWPSCEM-UHFFFAOYSA-N

名称をさらに表示

2-フルオロ-1,3-ジメチル-5-ニトロベンゼン2.6-Dimethyl-4-nitrofluorbenzol2-fluoro-1,3-dimethylnitrobenzene1-Fluoro-2,6-dimethyl-4-nitrobenzene1,3-Dimethyl-2-fluoro-5-nitrobenzene

4-fluoro-3,5-dimethylnitrobenzeneAKOS0159988683,5-dimethyl-4-fluoro-1-nitrobenzeneCS-W005736AS-18160SY037765DB-104601O10774

データベース識別子

CAS: 1736-85-2
PubChem CID: 11367232
DTXSID: DTXSID20463653
EC Number: 982-760-1

物性

構造計算による物性

XLogP: 2.6
極性表面積: 45.8 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: 12
形式電荷: 0
複雑度: 168

物理化学的性質

融点: 42 · 42-43 °C
沸点: 111 · 111-112 °C(Press: 14 Torr)
比重(密度): 1.225 · 1.225±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: solid
色: Brown

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.