4-Fluoro-m-toluidine (HCID 67981)

名称と識別子

優先名称: 4-Fluoro-m-toluidine
IUPAC: 4-fluoro-3-methylaniline
現地名: 4-フルオロ-3-メチルアニリン
英語名: 2-Fluoro-5-aminotoluene
分子式: C7H8FN
分子量: 125.14

名称と別名

4-Fluoro-m-toluidineEINECS 207-207-7DTXSID30196425NSC 88319RefChem:523311DTXCID40118916207-207-74-Fluoro-3-methylaniline452-69-75-Amino-2-fluorotoluene4-fluoro-3-methylbenzenamine2-Fluoro-5-aminotoluene

名称をさらに表示

4-フルオロ-3-メチルアニリン4-フルオロ-m-トルイジン4‐フルオロ‐3‐メチルアニリン5-アミノ-2-フルオロトルエンFluoromethylaniline64-Fluoro-5-Methylaniline3-METHYL-4-FLUOROANILINE4-Fluoro-3-methylaniline98%4-Fluoro-3-methylaniline>4-Fluoro-3-methylaniline 98%

Benzenamine, 4-fluoro-3-methyl-MFCD000252944-fluoro-3-methyl-aniline4-fluoro-3-methylphenylamineSHJ88XWX75NSC-88319NSC88319m-Toluidine, 4-fluoro-

データベース識別子

CAS: 452-69-7
PubChem CID: 67981
DTXSID: DTXSID30196425
UNII: SHJ88XWX75
EC Number: 207-207-7
Nikkaji: J149.711A

物性

構造計算による物性

XLogP: 2.3
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 94

物理化学的性質

融点: 35 °C · 35 °C
沸点: 85 · 85-86°C 9mm
比重(密度): 1 · 1,12 g/cm3
屈折率: 1.537 · 1.5370
闪点: 95 °C · 95°C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 4.78 · 4.78±0.10(Predicted)
色: White to Gray
BRN: 2935561 · 2935561
InChI: InChI=1S/C7H8FN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
InChIKey: NYMDPDNETOLVBS-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C(C)=C1
CAS データベース: 452 · 452-69-7(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Fluoro-3-methylaniline(452-69-7)

化学的性質

化学的特性White to brown or violet solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (17%): 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]；H332 (17%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (12.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

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

Aggregated GHS information provided per 47 reports by companies from 7 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.