2,6-ジメトキシアニリン

Benzenamine, 2,6-dimethoxy-

HCID 95940CAS 2734-70-5

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1cccc(OC)c1N
InChIKey: HQBJSEKQNRSDAZ-UHFFFAOYSA-N
分子式: C8H11NO2
平均分子量: 153.18 g/mol
単同位体質量: 153.07897859

名称と識別子

優先名称: Benzenamine, 2,6-dimethoxy-
IUPAC: 2,6-dimethoxyaniline
現地名: 2,6-ジメトキシアニリン
英語名: 2,6-Dimethoxyaniline
分子式: C8H11NO2
分子量: 153.18

名称と別名

Benzenamine, 2,6-dimethoxy-NSC 437582,6-Dimethoxy anilineDTXSID50181777RefChem:117200DTXCID90104268HQBJSEKQNRSDAZ-UHFFFAOYSA-N2,6-Dimethoxyaniline2734-70-52,6-dimethoxyphenylamine2,6-dimethoxybenzenamine2,6-Dimethoxy-phenylamine

名称をさらに表示

2,6-ジメトキシアニリンBUTTPARK 33\04-692,6-Dimethoxyaniline >2,6-Dimethoxyaniline 98%2,6-Dimethoxyaniline ,98%2,6-Dimethoxyaniline, 97%

MFCD000539342 6-dimethoxyanilineNSC43758NSC-43758AKOS000302074PS-5218EN300-109597FT-0600952

データベース識別子

CAS: 2734-70-5
PubChem CID: 95940
DTXSID: DTXSID50181777
EC Number: 679-090-4
Nikkaji: J175.237E

物性

構造計算による物性

XLogP: 0.8
極性表面積: 44.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 107

物理化学的性質

融点: 71 · 71-74
沸点: 254 ℃ · 254℃
比重(密度): 1.096 · 1.096
屈折率: 1.477 · 1.4770 (estimate)
闪点: 116 ℃ · 116℃
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: powder to crystal
酸解離定数(Pka): 4.48 · 4.48±0.10(Predicted)
色: White to Gray to Brown
水溶解度: 水にわずかに溶ける。
InChI: InChI=1S/C8H11NO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,9H2,1-2H3
InChIKey: HQBJSEKQNRSDAZ-UHFFFAOYSA-N
SMILES: C1(N)=C(OC)C=CC=C1OC
CAS データベース: 2734 · 2734-70-5(CAS DataBase Reference)

化学的性質

化学的特性Off-white solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, 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 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

tsca: N
ridadr: UN2811
hs_code: 29214200
risk_code: 20/21/22-36/37/38-36-33
hazard_code: Xi,T
hazard_note: Toxic/Irritant
safety_code: 26-36/37/39-36/37-28
hazard_class: 6.1
packing_group: III

化学と産業

応用分野 · 1 件

使用2,6-Dimethylaniline degradation by Fenton process has been studied in depth for the purpose of learning more about the reactions involved in the oxidation of 2,6-dimethylaniline under various reaction conditions. Using a previously developed gas chromatographic-mass spectrometric assay, hemoglobin adducts of 2,6-dimethylaniline were detected covalently bound to rat hemoglobin after administration of either 2,6-dimethylaniline or lidocaine.