3,4-Dimethoxyaniline

HCID 22770CAS 6315-89-5

기본 정보

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 물성

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

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

화학적 성질

BROWN CRYSTALLINE POWDER

안전 및 규제

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

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

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.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

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