CAS 1978-33-2 2-Fluoro-3-methylaniline (HCID 22734623)

基本情報

CAS: 1978-33-2
標準SMILES: Cc1cccc(N)c1F
InChIKey: WFZUBZAEFXETBF-UHFFFAOYSA-N
分子式: C7H8FN
平均分子量: 125.14 g/mol
単同位体質量: 125.06407742

名称と識別子

優先名称: 2-Fluoro-3-methylaniline
IUPAC: 2-fluoro-3-methylaniline
現地名: 2-フルオロ-m-トルイジン
英語名: 2-Fluoro-3-methylaniline
分子式: C7H8FN
分子量: 125.14

名称と別名

2-Fluoro-3-methylaniline1978-33-2DTXSID00627933RefChem:260875DTXCID30578686675-536-73-amino-2-fluorotoluene2-Fluoro-m-toluidine2-fluoro-3-methyl-aniline2-fluoro-3-methylbenzenamineMFCD06410915BENZENAMINE, 2-FLUORO-3-METHYL-

名称をさらに表示

2-フルオロ-m-トルイジン2-フルオロ-3-メチルアニリン3-アミノ-2-フルオロトルエンBenzenamin2-Fluoro-3-methylaniline>2-FLUORO-3-METHYLBENZENAMINE3-AMINO-2-FLUOROTOLUENE, 98+%2-Fluoro-m-toluidine 3-Amino-2-fluorotoluene3-Amino-2-fluorotoluene, 2-Fluoro-m-toluidine

2-fluoro-3-methylphenylamineSCHEMBL4065132-Fluoro-3-methyl-phenylamineSCHEMBL1550874SCHEMBL17023613SBB069825AKOS005145718AB25121

データベース識別子

CAS: 1978-33-2
PubChem CID: 22734623
DTXSID: DTXSID00627933
EC Number: 675-536-7

物性

構造計算による物性

XLogP: 1.7
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

沸点: 87 °C · 87 °C / 12mmHg
比重(密度): 1.11 · 1.11
屈折率: 1.536 · 1.5360
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
酸解離定数(Pka): 3.33 · 3.33±0.10(Predicted)
外見: liquid
色: clear, very dark red
InChI: InChI=1S/C7H8FN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3
InChIKey: WFZUBZAEFXETBF-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(C)=C1F
CAS データベース: 1978 · 1978-33-2(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H227 (25%): Combustible liquid [Warning Flammable liquids]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): 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 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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. 4 (25%)；Acute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)