4-Fluoro-3-methoxyaniline (HCID 2774533)

이름 및 식별자

우선 이름: 4-Fluoro-3-methoxyaniline
IUPAC: 4-fluoro-3-methoxyaniline
영어명: 4-Fluoro-3-methoxyaniline
분자식: C7H8FNO
분자량: 141.14

이름 및 동의어

4-fluoro-3-methoxyaniline64465-53-8DTXSID00379081RefChem:292818DTXCID50330107634-503-74-fluoro-3-methoxyphenylamineBenzenamine, 4-fluoro-3-methoxy-4-fluoro-3-methoxy-anilineMFCD006657893-methoxy-4-fluoroaniline4-fluoro-3-methoxybenzenamine

이름 더 보기

BUTTPARK 14\01-655-Amino-2-fluoroanisole4-Fluoro-3-Methoxybenzenamin4-Fluoro-3-methoxyaniline AldrichCPR5-Amino-2-fluoroanisole, 4-Fluoro-m-anisidine

4-fluoro3-methoxyaniline3-methoxy-4-fluoro-aniline4-fluoro-3-methoxy anilineSCHEMBL1106764-fluoro-3-(methyloxy)aniline4-fluoro-3-methoxy-phenylamineXAACOEWSHBIFGJ-UHFFFAOYSA-N(4-fluoro-3-methoxy-phenyl)-amine

데이터베이스 식별자

CAS: 64465-53-8
PubChem CID: 2774533
DTXSID: DTXSID00379081
EC Number: 634-503-7

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

녹는점: 66 · 66-68
끓는 점: 135 °C · 135 °C(Press: 18 Torr)
밀도: 1.176 · 1.176±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 고체
산도 계수 (pKa): 4.23 · 4.23±0.10(Predicted)
색상: 갈색에서 검정색으로
InChI: InChI=1S/C7H8FNO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,9H2,1H3
InChIKey: XAACOEWSHBIFGJ-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C(OC)=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (94.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (94.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 73 reports by companies from 8 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. 4 (95.9%)；Skin Irrit. 2 (98.6%)；Eye Dam. 1 (94.5%)；STOT SE 3 (97.3%)；Aquatic Chronic 3 (94.5%)

안전 데이터

wgk: WGK 3
HS 번호: 2922290090
risk_code: 20/21/22-36/37/38-52-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-Fluoro-3-methoxyaniline serves as a precursor in the synthesis of 4-trifluoromethyl-4,5-dihydro-1H-pyrrole derivatives, formed by reacting with substituted β-oxoamides (such as N-(4-fluoro-3-methoxyphenyl)-3-oxobutanamide) and 3-bromo-1,1,1-trifluoropropan-2-one[4].