4-플루오로펜에틸아민

4-플루오로펜에틸아민 · p-fluorophenethylamine · AURORA KA-7015 · RARECHEM AL BW 0215 · 4-FLUOROPHENETHYLAMINE · 4-Fluorophenethanamine · 4-FLUOROPHENYLETHYLAMINE · (P-FLUOROPHENYL)ETHYLAMINE

https://huagongshe.com/ko/chemical/4653

식별자 및 물리적 특성

CAS No.	1583-88-6
분자식	C8H10FN
평균 분자량	139.17 g/mol
단동위원소 질량	139.07972754 g/mol
SMILES	NCCc1ccc(F)cc1
InChIKey	CKLFJWXRWIQYOC-UHFFFAOYSA-N
PubChem CID	4653
ChEMBL	CHEMBL217315
EC No.	216-435-6
DTXSID	DTXSID70166400
현지명	4-플루오로펜에틸아민

화학 및 물리적 성질

XLogP	1.3
극성 표면적	26
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	10
형식 전하	0
복잡도	87.3
끓는 점	50-52 °C/0.15 mmHg (lit.)
밀도	1.061 g/mL at 25 °C (lit.)
굴절률	n20/D 1.5072(lit.)
인화점	174 °F
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
pKa(산도 계수)	9.84±0.10(Predicted)
물리적 상태	액체
비중	1.061
색상	노란색
용해도	물에 약간 용해됩니다.
InChI	InChI=1S/C8H10FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey	CKLFJWXRWIQYOC-UHFFFAOYSA-N
SMILES	C1(CCN)=CC=C(F)C=C1

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류	DangerH301 (93.2%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (93.2%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN 2922 8/PG 2
관세 코드	29214200
위험 문구(R)	23/24/25-34
위험 표시	T,C
안전 문구(S)	26-27-36/37/39-45
포장분류	Ⅱ
위험 등급	8Acute Tox. 3 OralSkin Corr. 1B
저장 분류	6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

용도

4-Fluorophenethylamine may be employed as nucleophile in the synthesis of 2-amino-4-arylpyrimidine derivatives. It is suitable for use in the preparation of ortho-metalated primary phenethylamines having electron-releasing and electron-withdrawing groups on the aromatic ring, leading to complexes containing six membered palladacycles.