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3,4-Dimethoxyaniline

HCID 22770
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
6315-89-5
표준 SMILES
COc1ccc(N)cc1OC
InChIKey
LGDHZCLREKIGKJ-UHFFFAOYSA-N
분자식
C8H11NO2
평균 분자량
153.18 g/mol
단동위원소 질량
153.07897859

개요

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

이름 및 식별자

우선 이름
3,4-Dimethoxyaniline
IUPAC
3,4-dimethoxyaniline
영어명
4-Aminoveratrole
분자식
C8H11NO2
분자량
153.18

이름 및 동의어

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
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성보충 중

XLogP
1.4
극성 표면적
44.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
11
형식 전하
0
복잡도
119

실험 및 물리화학적 성질

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

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

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

물리화학적 성질

녹는점
85 · 85-89 °C (lit.)
끓는 점
174 · 174-176 °C/22 mmHg (lit.)
밀도
1.1577 · 1.1577 (rough estimate)
굴절률
1.464 · 1.4640 (estimate)
인화점
174 · 174-176°C/22mm
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
용해도
클로로포름(소량으로 용해), 메탄올(약간 용해됨)
산도 계수 (pKa)
4.78 · 4.78±0.10(Predicted)
물리적 상태
결정성 분말
색상
갈색

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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 · 1건

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
Reactivity Profile · 1건

3,4-DIMETHOXYANILINE is sensitive to prolonged exposure to light. (NTP, 1992). Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides

화학 및 산업

약리 정보

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

용도 및 제조

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

응용 분야

용도3,4-Dimethoxyaniline is commonly used as fine chemicals, used for pharmaceutical intermediates.

상·하류 제품 정보

상류 원료

4-azido-1,2-dimethoxybenzeneBenzamide, N-hydroxy-3,4-dimethoxy-3,4-디메톡시페놀베라트릴글리세롤-베타-구아이야실에테르3,4-Dimethoxynitrobenzene4-브로모버레이트롤3,4-Dimethoxyacetophenone4-클로로-1,2-디메톡시-벤젠1,2-디메톡시벤젠

하류 제품

관련 반응

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수용성
불용성
BRN
743399 · 743399
InChI
1S/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3
InChIKey
LGDHZCLREKIGKJ-UHFFFAOYSA-N
SMILES
COc1ccc(N)cc1OC
NIST
3 · Benzenamine, 3,4-dimethoxy-(6315-89-5)
EPA
3 · 3,4-Dimethoxyaniline (6315-89-5)

화학적 성질

BROWN CRYSTALLINE POWDER

Air and Water ReactionsSlightly soluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 및 보호

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

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 · 1건

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) · 1건

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)

독성 정보

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

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
BX4550000
ridadr
2811
HS 번호
29222900
risk_code
22-36/37/38-20/21/22
hazard_code
Xn,T,Xi
safety_code
22-24/25-36/37/39-26-36
포장분류
III
위험 등급
6.1(b)
위험 참고 사항
Toxic/Irritant
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids
4-chloro-6,7-dimethoxyquinoline
4-아미노카테콜
2,3-디메톡시옥시닐린
2'-아미노-4',5'-디메톡시아세토페논
Benzenediazonium, 4,5-dimethoxy-2-[[4-nitro-2-(phenylsulfonyl)phenyl]azo]-
6,7-DIMETHOXY-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLICACID에틸에스테르