2-Methoxy-N-methylaniline

HCID 2759579

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 10541-78-3
표준 SMILES: CNc1ccccc1OC
InChIKey: KNZWULOUXYKBLH-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

이름 및 식별자

우선 이름: 2-Methoxy-N-methylaniline
IUPAC: 2-methoxy-N-methylaniline
영어명: 2-METHOXY-N-METHYANILINE
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

2-Methoxy-N-methylaniline10541-78-3DTXSID80374852RefChem:262732DTXCID60325882626-413-12-Methoxy-N-methyanilineMFCD03093822N-Methyl-2-anisidineBenzenamine, 2-methoxy-N-methyl-2-methoxy-N-methyl-aniline(2-methoxy-phenyl)-methyl-amine

이름 더 보기

2-METHOXY-N-METHYANIN-METHYL-O-ANISIDINEo-Methoxy-N-methylaniline2-Methoxy-N-Methylaniline 97%2-Methoxy-N-Methyaniline ,97%Benzenamine,2-methoxy-N-methyl-

N-methyl o-AnisidineUrapidil Impurity 1052-methoxyl-N-methylaniline2-methoxyl -N-methylanilineN-methyl ortho-methoxyanilineSCHEMBL360495SCHEMBL360496SCHEMBL1355824

데이터베이스 식별자

CAS: 10541-78-3
PubChem CID: 2759579
DTXSID: DTXSID80374852
EC Number: 626-413-1
Nikkaji: J920.005C

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 21.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 95.3

물리화학적 성질

녹는점: 30 · 30-34 °C (lit.)
끓는 점: 115 °C · 115 °C
밀도: 1.032 · 1.032±0.06 g/cm3(Predicted)
인화점: 209 °F · 209 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 고체
산도 계수 (pKa): 4.8 · 4.80±0.10(Predicted)
색상: 옅은 노랑
InChI: InChI=1S/C8H11NO/c1-9-7-5-3-4-6-8(7)10-2/h3-6,9H,1-2H3
InChIKey: KNZWULOUXYKBLH-UHFFFAOYSA-N
SMILES: C1(NC)=CC=CC=C1OC

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 2
HS 번호: 29222990
risk_code: 22-43
hazard_code: Xn
safety_code: 36/37/39
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도As an organic synthesis intermediate, 2-methoxy-N-methylaniline can be used to synthesize various complex organic molecules, especially in the fields of medicine and pesticide chemistry.