2-Methoxy-6-methylaniline (HCID 459249)

名称と識別子

優先名称: 2-Methoxy-6-methylaniline
IUPAC: 2-methoxy-6-methylaniline
現地名: 2-メトキシ-6-メチルアニリン
英語名: 2-METHOXY-6-METHYLANILINE
分子式: C8H11NO
分子量: 137.18

名称と別名

2-Methoxy-6-methylaniline50868-73-0benzenamine, 2-methoxy-6-methyl-DTXSID00332616RefChem:87874DTXCID90283709628-709-6HKOJYPPTIPJZAZ-UHFFFAOYSA-NInChI=1/C8H11NO/c1-6-4-3-5-7(10-2)8(6)9/h3-5H,9H2,1-2H6-Methyl-o-anisidine2-methoxy-6-methyl-anilineMFCD00075455

名称をさらに表示

2-メトキシ-6-メチルアニリン2-メチル-6-メトキシアニリン6-メトキシ-o-トルイジン2-メトキシ-6-メチルベンゼンアミン6-メトキシ-2-メチルアニリン6-メチル-o-アニシジン2-アミノ‐1‐メトキシ-3-メチルベンゼン6-Methoxy-2-methylaniline2-Methoxy-6-methylaniline>2-Methoxy-6-methylbenzenamine2-Methoxy-6-methylaniline 98%

2-Methoxy-6-methyl-phenylamine2-Amino-1-methoxy-3-methylbenzene2-methoxy-6-methylbenzenamine6-Methoxy-o-toluidine2-AMINO-3-METHYLANISOLE2-METHYL-6-METHOXYANILINE2-Methoxy-6-methylphenylamineSCHEMBL288824

データベース識別子

CAS: 50868-73-0
PubChem CID: 459249
DTXSID: DTXSID00332616
EC Number: 628-709-6
Nikkaji: J141.479H

物性

構造計算による物性

XLogP: 1.6
極性表面積: 35.3 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: 1
重原子数: 10
形式電荷: 0
複雑度: 105

実験および物理化学的性質

Kovats Retention Index1969

物理化学的性質

融点: 26 · 26-29 °C (lit.)
沸点: 62 °C/0.15 · 62 °C/0.15 mmHg (lit.)
比重(密度): 1.063 · 1.0630 (rough estimate)
屈折率: 1.5647 · 1.5647 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 4.39 · 4.39±0.10(Predicted)
外見: 個体
色: 透明な茶色の油から淡い赤から濃い赤の低融点
InChI: InChI=1S/C8H11NO/c1-6-4-3-5-7(10-2)8(6)9/h3-5H,9H2,1-2H3
InChIKey: HKOJYPPTIPJZAZ-UHFFFAOYSA-N
SMILES: C1(N)=C(C)C=CC=C1OC
CAS データベース: 50868 · 50868-73-0

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.6%): 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, 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 42 reports by companies from 5 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (97.6%)

安全データ

wgk: 3
hs_code: 2922290090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids