(S)-1-(4-플루오로페닐)에틸라민

(S)-1-(4-Fluorophenyl)-ethylamine

HCID 2779063CAS 66399-30-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[C@H](N)c1ccc(F)cc1
InChIKey: QGCLEUGNYRXBMZ-LURJTMIESA-N
분자식: C8H10FN
평균 분자량: 139.17 g/mol

이름 및 식별자

우선 이름: (S)-1-(4-Fluorophenyl)-ethylamine
IUPAC: (1S)-1-(4-fluorophenyl)ethanamine
현지명: (S)-1-(4-플루오로페닐)에틸라민
영어명: (S)-1-(4-Fluorophenyl)ethylamine
분자식: C8H10FN
분자량: 139.17

이름 및 동의어

66399-30-2(S)-1-(4-fluorophenyl)-ethylamineRefChem:407778679-261-3(S)-1-(4-fluorophenyl)ethanamine(S)-1-(4-Fluorophenyl)ethylamine(1S)-1-(4-fluorophenyl)ethanamine(S)-1-(4-FLUORO-PHENYL)-ETHYLAMINE(S)-(-)-1-(4-Fluorophenyl)EthylamineMFCD03092999(1S)-1-(4-fluorophenyl)ethan-1-amine(S)-4-Fluoro-alpha-methylbenzylamine

이름 더 보기

(S)-1-(4-플루오로페닐)에틸라민(S)-1-(4-fluorophenyl)ethan-1-amineS-PF-PEM(S)-(-)-4-F-phenylethylamine1(S)-(4-Fluorophenyl)ethylamine(S)-α-Methyl-4-fluorobenzylaMine(s)-4-fluoro-à-methylbenzylamine(S)-4-Fluoro-α-methylbenzylamine

(1S)-1-(4-Fluorophenyl)ethylamineSCHEMBL56723SCHEMBL3877911QGCLEUGNYRXBMZ-LURJTMIESA-N(5)-1-(4-fluorophenyl)ethanamineCS-D0021(S)-1-(4-fluoro-phenyl)ethylamine(s)-p-fluoro-alpha-methylbenzylamine

데이터베이스 식별자

CAS: 66399-30-2
PubChem CID: 2779063
EC Number: 679-261-3
Nikkaji: J1.372.615I

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 97.4

물리화학적 성질

녹는점: -30 °C · -30°C
끓는 점: 76 °C · 76°C 22mm
밀도: 1 · 1,03 g/cm3
굴절률: 1.501 · 1.501
인화점: 76 °C/22mm · 76°C/22mm
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 디메틸설폭사이드와 혼합 가능.
산도 계수 (pKa): 8.98 · 8.98±0.10(Predicted)
물리적 상태: 액체
색상: 투명한
BRN: 6791614 · 6791614

화학적 성질

Colorless transparent liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)

안전 데이터

ridadr: 2735
HS 번호: 2921490090
risk_code: 34-51/53-22
hazard_code: Xi,N,C
safety_code: 26-36/37/39-61-45
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도(S)-(-)-1-(4-Fluorophenyl)ethylamine is used in organic synthesis. It acts as a ligand and form a coordination complex, diacetato-2-O-bis[(S)-1-(4-fluorophenyl)ethylamine-N]palladium(II) by reacting with palladium(II) acetate.