CAS 704-05-2 4-Fluoro-2-nitro-N-methylaniline (HCID 2774662)

基本情報

CAS: 704-05-2
標準SMILES: CNc1ccc(F)cc1[N+](=O)[O-]
InChIKey: QELGNVHWXQYICY-UHFFFAOYSA-N
分子式: C7H7FN2O2
平均分子量: 170.14 g/mol
単同位体質量: 170.04915568

名称と識別子

優先名称: 4-Fluoro-2-nitro-N-methylaniline
IUPAC: 4-fluoro-N-methyl-2-nitroaniline
英語名: 4-Fluoro-2-nitro-N-methylaniline
分子式: C7H7FN2O2
分子量: 170.14

名称と別名

4-Fluoro-2-nitro-N-methylaniline704-05-2DTXSID40379161RefChem:292789DTXCID503301874-fluoro-N-methyl-2-nitroanilineN-Methyl-4-fluoro-2-nitroanilineMFCD00792440Benzenamine, 4-fluoro-N-methyl-2-nitro-SCHEMBL103506SCHEMBL30016445QELGNVHWXQYICY-UHFFFAOYSA-N

名称をさらに表示

BUTTPARK 45\09-95

4-fluoro-N-methyl-2-nitro-anilineAAA70405(4-fluoro-2-nitrophenyl)methylamineSBB088385(4-fluoro-2-nitrophenyl)-methylamine4-fluoro-N-methyl-2-nitrobenzenamineAKOS008994718AS-54776

データベース識別子

CAS: 704-05-2
PubChem CID: 2774662
DTXSID: DTXSID40379161
EC Number: 671-863-4

物性

構造計算による物性

XLogP: 2.5
極性表面積: 57.9 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 171

物理化学的性質

融点: 76 °C · 76 °C(Solv: hexane (110-54-3))
沸点: 275.8 · 275.8±30.0 °C(Predicted)
比重(密度): 1.361 · 1.361±0.06 g/cm3(Predicted)
酸解離定数(Pka): -0.8 · -0.80±0.25(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.