2,4-ジメトキシアニリン

2,4-Dimethoxyaniline

HCID 17652CAS 2735-04-8

基本情報

標準SMILES
COc1ccc(N)c(OC)c1
InChIKey
GEQNZVKIDIPGCO-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

2,4-dimethoxyaniline is a black crystalline solid. (NTP, 1992)

名称と識別子

優先名称
2,4-Dimethoxyaniline
IUPAC
2,4-dimethoxyaniline
現地名
2,4-ジメトキシアニリン
英語名
2,4-Dimethoxyaniline
分子式
C8H11NO2
分子量
153.18

名称と別名

2,4-DIMETHOXYANILINEBenzenamine, 2,4-dimethoxy-Aniline, 2,4-dimethoxy-2,4-dimethoxyphenylamineDTXSID7043829NSC 620192,4-dimethoxybenzenamineHSDB 4125EINECS 220-355-71-Amino-2,4-dimethoxybenzeneBRN 06387042,4-Domethoxyaniline
名称をさらに表示
2,4-ジメトキシアニリン2,4-ジメトキシベンゼンアミンAKOS BBS-000036274-AMINORESORCINOL4-DiMethoxyaniline2,4-dimethoxy-anilin2,4-Dimethoxyaniline C2,4-DIMETHOXY BENZAMINE2,4-Dimethoxyaniline>2,4-dimethoxybenzenamine
4-Aminoresorcinol dimethyl etherDTXCID5023829I079354GSI2,4-DIMETHOXYANILINE [HSDB]NSC-62019UNII-I079354GSI4-13-00-02529 (Beilstein Handbook Reference)Aniline, 2,4dimethoxy

データベース識別子

CAS
2735-04-8
PubChem CID
17652
DTXSID
DTXSID7043829
ChEMBL
CHEMBL1622132
UNII
I079354GSI
EC Number
220-355-7
Nikkaji
J55.221F

物性

構造計算による物性

XLogP
1.2
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
Color/FormPLATES FROM PETROLEUM ETHER
Solubility · 2 件

less than 1 mg/mL at 63 °F (NTP, 1992)

SLIGHTLY SOL IN WATER; SOL IN ETHER, ALC, BENZENE, HOT PETROLEUM ETHER

Melting Point · 2 件

92.3 °F (NTP, 1992)

33.5 °C

Physical Description · 2 件

2,4-dimethoxyaniline is a black crystalline solid. (NTP, 1992)

Black solid; [CAMEO] Black solid; mp = 34-37 deg C; [MSDSonline]

Other Experimental PropertiesUV: 6158 (Sadtler Research Laboratories Spectral Collection) /3,4-Dimethoxyaniline/

物理化学的性質

融点
33 · 33-36 °C (lit.)
沸点
75 · 75-80 C
比重(密度)
1.075 g/mL · 1.075 g/mL at 25 °C (lit.)
屈折率
1.464 · 1.4640 (estimate)
闪点
230 °F · >230 °F
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature

化学的性質

化学的特性black crystals

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzenamine, 2,4-dimethoxy-

2,4-Dimethoxyaniline: Does not have an individual approval but may be used under an appropriate group standard

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 SummaryEmergency treatment: Methemoglobinemia; No evidence of carcinogenicity in rats or mice; [HSDB] A local irritant; [CAMEO] An irritant; May induce methemoglobinemia; [MSDSonline]
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: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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
Ongoing Test Status · 1 件

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. /2,4-Dimethoxyaniline hydrochloride/ [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=54150-69-5]

Non-Human Toxicity Excerpts · 1 件

... Under the conditions of this bioassay there was no convincing evidence for the carcinogenicity of 2,4-dimethoxyaniline HCl in Fischer 344 rats or B6C3F1 mice. Levels of Evidence of Carcinogenicity: Male Rats: Negative; Female Rats: Negative; Male Mice: Negative; Female Mice: Negative.

National Toxicology Program Studies · 1 件

A bioassay for the possible carcinogenicity of 2,4-dimethoxyaniline HCl was conducted using Fischer 344 rats and B6C3F1 mice. 2,4-Dimethoxyaniline HCl was admin in the feed, at either of two concn, to groups of 50 male and 50 female animals of each species. Twenty animals of each sex and species were placed on test as controls. The high and low dietary concn of 2,4-dimethoxyaniline HCl were, respectively, 3,000 and 1,500 ppm for rats and 5,000 and 2,500 ppm for mice. The cmpd was admin in the diet for 104 wk to rats and 103 wk to mice, followed by a l wk observation period for both species. ... Adequate numbers of animals in all groups survived sufficiently long to be at risk from late-developing tumors. ... Under the conditions of this bioassay there was no convincing evidence for the carcinogenicity of 2,4-dimethoxyaniline HCl in Fischer 344 rats or B6C3F1 mice. Levels of Evidence of Carcinogenicity: Male Rats: Negative; Female Rats: Negative; Male Mice: Negative; Female Mice: Negative.

安全データ

F
8-10-23
wgk
3
tsca
TSCA listed
rtecs
BX4200000
ridadr
2811
毒性
mouse,LD50,oral,1gm/kg (1000mg/kg),Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. Vol. NCI-E-C-72-3252, Pg. 1973,

化学と産業

用途と製造

Uses · 2 件

Used as an intermediate for C.I. basic yellow 11; Not currently manufactured in the US; [HSDB]

CHEMICAL INTERMEDIATE FOR C.I. BASIC YELLOW 11

U.S. Exports · 2 件

(1977) No Data

(1979) No Data

U.S. Imports · 2 件

(1977) 3.28X10+7 G (PRINCPL CUSTMS DISTS)

(1979) 1.62X10+7 G (PRINCPL CUSTMS DISTS)

U.S. Production · 2 件

(1976) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1979) NOT PRODUCED COMMERCIALLY IN US

General Manufacturing InformationBenzenamine, 2,4-dimethoxy-: ACTIVE
応用分野 · 2 件

使用Various 2,4-dimethoxyphenylsemicarbazones were synthesized starting from 2,4-dimethoxyaniline via a phenylcarbamate intermediate. The hydrochloride of 2,4-dimethoxyaniline was prepared by intro- ducing hydrogen chloride gas into an etheral solution and washing the precipitate with absolute diethyl ether.

一般的な説明Black crystalline solid.

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