3,4-ジメトキシアニリン

3,4-Dimethoxyaniline

HCID 22770CAS 6315-89-5

基本情報

標準SMILES
COc1ccc(N)cc1OC
InChIKey
LGDHZCLREKIGKJ-UHFFFAOYSA-N
分子式
C8H11NO2
平均分子量
153.18 g/mol
単同位体質量
153.07897859

概要

3,4-dimethoxyaniline is a brown powder. (NTP, 1992)

名称と識別子

優先名称
3,4-Dimethoxyaniline
IUPAC
3,4-dimethoxyaniline
現地名
3,4-ジメトキシアニリン
英語名
4-Aminoveratrole
分子式
C8H11NO2
分子量
153.18

名称と別名

3,4-Dimethoxyaniline6315-89-54-Aminoveratrole4-AminoveratrolBenzenamine, 3,4-dimethoxy-3,4-Dimethoxybenzenamine2-Methoxy-4-aminoanisoleANILINE, 3,4-DIMETHOXY-3,4-Dimethoxy aniline4-amino-veratroleMFCD000083944-amino-1,2-dimethoxybenzene
名称をさらに表示
3,4-ジメトキシアニリン4-アミノベラトロール3,4-ジメトキシベンゼンアミン4‐アミノベラトロール25kg100G/500G/25KG3,4-DimethoxyaniLTIMTEC-BB SBB00404313,4-MethoxyAniline3,4-dimethoxy-anilin4-Aminoveratrole,98%
3,4-dimethoxylaniline3,4-dimethoxyphenylamineNSC-210333,4-dimethoxy phenylamineXD9UJ596XDNSC21033AC-907/25014217Z1245635761

データベース識別子

CAS
6315-89-5
PubChem CID
22770
DTXSID
DTXSID8064226
UNII
XD9UJ596XD
EC Number
228-647-6
Nikkaji
J15.119J

物性

構造計算による物性

XLogP
1.4
極性表面積
44.5 Ų
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

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
Solubility1 to 10 mg/mL at 64 °F (NTP, 1992)
Melting Point189 to 190 °F (NTP, 1992)
Physical Description · 2 件

3,4-dimethoxyaniline is a brown powder. (NTP, 1992)

Brown solid; [CAMEO] Brown crystalline solid; [Alfa Aesar MSDS]

物理化学的性質

融点
85 · 85-89 °C (lit.)
沸点
174 · 174-176 °C/22 mmHg (lit.)
比重(密度)
1.1577 · 1.1577 (rough estimate)
屈折率
1.464 · 1.4640 (estimate)
闪点
174 · 174-176°C/22mm
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature

化学的性質

化学的特性BROWN CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: Benzenamine, 3,4-dimethoxy-
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Health HazardsACUTE/CHRONIC HAZARDS: This compound is a local irritant. (NTP, 1992)
Hazards Summary · 1 件

An irritant; [NTP] May cause irritation; May induce methemoglobinemia; Harmful by ingestion and inhalation; Toxic by skin absorption; Prolonged or repeated exposure may cause organ injury; [Alfa Aesar MSDS] See 2,4-Dimethoxyanilineand 2,5-Dimethoxyaniline.

Reactive GroupAmines, Aromatic

安全と保護具

Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

安全データ

wgk
3
tsca
TSCA listed
rtecs
BX4550000
ridadr
2811
hs_code
29222900
risk_code
22-36/37/38-20/21/22

化学と産業

薬理情報

Metabolism/Metabolites4-aminoveratrole has known human metabolites that include N-(3,4-Dimethoxyphenyl)acetamide.

用途と製造

General Manufacturing InformationBenzenamine, 3,4-dimethoxy-: ACTIVE

応用分野

用途有機合成原料。

使用3,4-Dimethoxyaniline is commonly used as fine chemicals, used for pharmaceutical intermediates.

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