2,4-ジメトキシアニリン

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-00003627 · 4-AMINORESORCINOL · 4-DiMethoxyaniline · 2,4-DIMETHOXYANILINE · 2,4-dimethoxy-anilin · 2,4-Dimethoxyaniline C

https://huagongshe.com/ja/chemical/17652

識別子と物理属性

CAS No.	2735-04-8
分子式	C8H11NO2
平均分子量	153.18 g/mol
単同位体質量	153.07897859 g/mol
SMILES	COc1ccc(N)c(OC)c1
InChIKey	GEQNZVKIDIPGCO-UHFFFAOYSA-N
PubChem CID	17652
ChEMBL	CHEMBL1622132
EC No.	220-355-7
DTXSID	DTXSID7043829
現地名	2,4-ジメトキシアニリン

化学・物理的性質

XLogP	1.2
極性表面積	44.5
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	119
物質分類	Nitrogen Compounds -> Amines, Aromatic
Color/Form	PLATES FROM PETROLEUM ETHER
溶解度	less than 1 mg/mL at 63 °F (NTP, 1992)SLIGHTLY SOL IN WATERSOL IN ETHER, ALC, BENZENE, HOT PETROLEUM ETHER7g/L(20℃)
融点	92.3 °F (NTP, 1992)33.5 °C33-36 °C (lit.)
Physical Description	2,4-dimethoxyaniline is a black crystalline solid. (NTP, 1992)Black solid[CAMEO] Black solidmp = 34-37 deg C[MSDSonline]
Other Experimental Properties	UV: 6158 (Sadtler Research Laboratories Spectral Collection) /3,4-Dimethoxyaniline/
沸点	75-80 C
密度	1.075 g/mL at 25 °C (lit.)
屈折率	1.4640 (estimate)
引火点	>230 °F
貯蔵条件	Keep in dark place,Inert atmosphere,Room temperature
pKa（酸解離定数）	5.14±0.10(Predicted)
外観・状態	結晶性固体
色	ダークブラウン
BRN	638704
ヘンリー定数	1.6×101 mol/(m3Pa) at 25℃, Ebert et al. (2023)
安定性	安定していますが、長時間の光への暴露に敏感です。酸と互換性がありません。
InChI	1S/C8H11NO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3
InChIKey	GEQNZVKIDIPGCO-UHFFFAOYSA-N
SMILES	COc1ccc(N)c(OC)c1
CAS データベース	2735-04-8(CAS DataBase Reference)
NISTの化学物質情報	Benzenamine, 2,4-dimethoxy-(2735-04-8)
EPAの化学物質情報	2,4-Dimethoxyaniline (2735-04-8)

化学的特性

black crystals

安全性と法規制

GHS 分類	WarningH302 (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.
規制情報	Chemical: Benzenamine, 2,4-dimethoxy-2,4-Dimethoxyaniline: Does not have an individual approval but may be used under an appropriate group standard
輸送ラベル（DOT）	Poison
火災危険	Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
健康有害性	ACUTE/CHRONIC HAZARDS: This compound is a local irritant. (NTP, 1992)
有害性の概要	Emergency treatment: MethemoglobinemiaNo evidence of carcinogenicity in rats or mice[HSDB] A local irritant[CAMEO] An irritantMay induce methemoglobinemia[MSDSonline]
反応性グループ	Amines, Aromatic
Special Reports	DHEW/NCIBioassay of 2,4-Dimethoxyaniline hydrochloride for Possible Carcinogenicity (1979) Technical Rpt Series No. 171 DHEW Pub No. (NIH) 79-1727
Reactivity Profile	2,4-DIMETHOXYANILINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Air and Water Reactions	Insoluble in water.
Hazard Classes and Categories	Acute Tox. 4 (100%)
消火	Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

用途

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.