4-플루오로-2-메톡시아닐린

4-Fluoro-2-methoxyaniline

HCID 13532228

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 450-91-9
표준 SMILES: COc1cc(F)ccc1N
InChIKey: BNRRMRUVYDETQC-UHFFFAOYSA-N
분자식: C7H8FNO
평균 분자량: 141.14 g/mol
단동위원소 질량: 141.05899204

이름 및 식별자

우선 이름: 4-Fluoro-2-methoxyaniline
IUPAC: 4-fluoro-2-methoxyaniline
현지명: 4-플루오로-2-메톡시아닐린
영어명: 4-Fluoro-2-methoxyaniline
분자식: C7H8FNO
분자량: 141.14

이름 및 동의어

4-Fluoro-2-methoxyaniline450-91-9DTXSID70543136RefChem:292775DTXCID30493921814-457-62-Methoxy-4-fluoroaniline4-fluoro-2-methoxy-anilineMFCD000775364-Fluoro-o-anisidineBenzenamine, 4-fluoro-2-methoxy-4-FLUORO-2-METHOXYBENZENAMINE

이름 더 보기

4-플루오로-2-메톡시아닐린4-Fluro-2-methoxyaniline4-fluoro-2-o-methoxyaniline4-Fluoro-2-methoxyaniline 97%

2-AMINO-5-FLUOROANISOLEo-Anisidine, 4-fluoro-2-Methoxy-4-fluoroaniline;DF76EF6P5Y4-fluoro-2-methoxyphenylamineSCHEMBL4559824-fluoro-2-(methyloxy)aniline4-Fluoro-2-methoxy-phenylamine

데이터베이스 식별자

CAS: 450-91-9
PubChem CID: 13532228
DTXSID: DTXSID70543136
UNII: DF76EF6P5Y
EC Number: 814-457-6

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

끓는 점: 215 ℃ · 215℃ (756 Torr)
밀도: 1.176 · 1.176±0.06 g/cm3 (20 ºC 760 Torr)
굴절률: 1.54 to · 1.5400 to 1.5440
인화점: 79.5 · 79.5±21.8℃
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 고체
산도 계수 (pKa): 4.6 · 4.60±0.10(Predicted)
색상: 무색~갈색
InChI: InChI=1S/C7H8FNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
InChIKey: BNRRMRUVYDETQC-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C=C1OC

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301+H311+H331 (33.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (66.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (66.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (66.7%)；Acute Tox. 3 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 3 (66.7%)；STOT SE 3 (66.7%)