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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 119
실험 및 물리화학적 성질
Physical Description
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
- 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
안전 및 규제
GHS 분류
GHS Classification
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
Hazards Summary
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.
Reactivity Profile
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
안전 및 보호
First Aid
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
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.
Personal Protective Equipment (PPE)
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
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
화학 및 산업
약리 정보
용도 및 제조
응용 분야
용도3,4-Dimethoxyaniline is commonly used as fine chemicals, used for pharmaceutical intermediates.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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