2,4-디아미노아니솔

2,4-디아미노아니솔 · 1-메톡시-2,4-다이아미노벤젠 · 1-메톡시-2,4-다이아미노벤젠(2,4-다이아미노아니솔또는4-메톡시-m-페닐렌다이아민또는CI76050)및그염류 · 2,4-다이아미노아니솔 · 2,4daa · 4-Mmpd · furrol · 2,4 DAA

https://huagongshe.com/ko/chemical/11976

식별자 및 물리적 특성

CAS No.	615-05-4
분자식	C7H10N2O
평균 분자량	138.17 g/mol
단동위원소 질량	138.07931294 g/mol
SMILES	COc1ccc(N)cc1N
InChIKey	BAHPQISAXRFLCL-UHFFFAOYSA-N
PubChem CID	11976
ChEMBL	CHEMBL3302060
ChEBI	CHEBI:82309
EC No.	210-406-1
DTXSID	DTXSID5041358
현지명	2,4-디아미노아니솔

화학 및 물리적 성질

XLogP	0.5
극성 표면적	61.3
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	108
물질 분류	Nitrogen Compounds -> Amines, AromaticCarcinogens
화장품	Cosmetic ingredients (4-Methoxy-m-Phenylenediamine) -> CIR (Cosmetic Ingredient Review)
Color/Form	Needles from etherColorless solid (needles).
용해도	Soluble in alcohol, hot etherslightly soluble in DMSOSolubility in water: miscible클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(아주 적은 양으로 녹여라)
Decomposition	The substance decomposes on heating producing toxic fumes including nitrogen oxides.
녹는점	153 °F (NIOSH, 2024)67-68 °C67.5°C
증기 밀도	Relative vapor density (air = 1): 4.77
증기압	0.04 [mmHg]
Physical Description	2,4-diaminoanisole appears as colorless needles. Primarily used (along with salts such as 2,4-diaminoanisole sulfate) as a component of hair & fur dye formulations. (NIOSH, 2024)Colorless solid (needles). [Note: The primary use (including its salts such as 2,4-diaminoanisole sulfate) is a component of hair & fur dye formulations.] [NIOSH]COLOURLESS SOLID IN VARIOUS FORMS.Colorless solid (needles). [Note: The primary use (including its salts such as 2,4-diaminoanisole sulfate) is a component of hair & fur dye formulations.]
Other Experimental Properties	Crystalline powder. MW: 211.07. Soluble in water. /Dihydrochloride/
끓는 점	253.57°C (rough estimate)
밀도	1.1315 (rough estimate)
굴절률	1.5200 (estimate)
저장 조건	2-8°C
pKa(산도 계수)	5.19±0.10(Predicted)
BRN	2085522
헨리 상수	1.4×104 mol/(m3Pa) at 25℃, HSDB (2015)
주요 응용	청소용품화장품음식 및 음료개인 위생 관리
InChI	1S/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3
InChIKey	BAHPQISAXRFLCL-UHFFFAOYSA-N
SMILES	COc1ccc(N)cc1N
NIST	1,3-Benzenediamine, 4-methoxy-(615-05-4)
EPA	2,4-Diaminoanisole (615-05-4)

화학적 성질

2,4-Diaminoanisole is a needle-like solid.

안전 및 규제

GHS 분류	DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
규제 정보	Chemical: 1,3-Benzenediamine, 4-methoxy-Hazard Traits - Carcinogenicity1,3-Benzenediamine, 4-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
기타 안전 정보	IMAP assessments - 4-Methoxy-1,3-benzenediamine and its sulfate: Human health tier II assessment
운송 라벨(DOT)	Poison
화재 위험	Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:Combustible.
건강 유해성	Excerpt from NIOSH Pocket Guide for 2,4-Diaminoanisole (and its salts):
유해성 요약	An animal carcinogen--NIOSH recommends controls to keep at lowest feasible concentration
FDA 요건	Coal tar hair dyes posing a risk of cancer. (a) The principal display panel of the label and any labeling accompanying a coal tar hair dye containing any ingredient listed in paragraph (b) of this section shall bear, in accordance with the requirements of §740.2, the following: Warning-Contains an ingredient that can penetrate your skin and has been determined to cause cancer in laboratory animals. (b) Hair dyes containing any of the following ingredients shall comply with the requirements of this section: (1) 4-methoxy-m-phenylenediamine (2,4-diaminoanisole) and (2) 4-methoxy-m-phenylenediamine sulfate (2,4-diaminoanisole sulfate).
반응성 그룹	Ethers
EC 분류	Symbol: T, NR: 45-22-68-51/53S: 53-45-61Note: E
UN 분류

용도

2,4-Diaminoanisole may be used as an analytical reference standard for the determination of the analyte in:Mainstream waterpipe smoke using liquid chromatography-electrospray ionization-tandem mass spectrometry (LC-ESI-MS/MS).Haircolor products by high performance liquid chromatography (HPLC).

일반 설명

Colorless needles. Primarily used (along with salts such as 2,4-DIAMINOANISOLE sulfate) as a component of hair & fur dye formulations.