4-플루오로펜에틸아민

p-Fluorophenethylamine

HCID 4653CAS 1583-88-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCCc1ccc(F)cc1
InChIKey: CKLFJWXRWIQYOC-UHFFFAOYSA-N
분자식: C8H10FN
평균 분자량: 139.17 g/mol
단동위원소 질량: 139.07972754

이름 및 식별자

우선 이름: p-Fluorophenethylamine
IUPAC: 2-(4-fluorophenyl)ethanamine
현지명: 4-플루오로펜에틸아민
영어명: 4-Fluorophenethylamine
분자식: C8H10FN
분자량: 139.17

이름 및 동의어

4-Fluorophenethylamine2-(4-Fluorophenyl)ethanamine2-(4-fluorophenyl)ethylamine2-(4-fluorophenyl)ethan-1-amineP-fluorophenethylamine(p-fluorophenyl)ethylamineS7W3CQD7N7EINECS 216-435-62-(p-fluorophenyl)ethylamine4-(2-aminoethyl)fluorobenzene4-FLUOROBENZENEETHANAMINEDTXSID70166400

이름 더 보기

4-플루오로펜에틸아민AURORA KA-7015RARECHEM AL BW 02154-Fluorophenethanamine4-FLUOROPHENYLETHYLAMINE4-Fluoro-benzeneethanaMine4-Fluorophenethylamine 99%4-FLUOROPHENETHYLAMINE,99+%

RefChem:169318DTXCID9088891216-435-6CKLFJWXRWIQYOC-UHFFFAOYSA-N1583-88-6Benzeneethanamine, 4-fluoro-2-(4-fluoro-phenyl)-ethylamineMFCD00134208

데이터베이스 식별자

CAS: 1583-88-6
PubChem CID: 4653
DTXSID: DTXSID70166400
ChEMBL: CHEMBL217315
UNII: S7W3CQD7N7
EC Number: 216-435-6
Nikkaji: J40.736D

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: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 87.3

물리화학적 성질

끓는 점: 50 · 50-52 °C/0.15 mmHg (lit.)
밀도: 1.061 g/mL · 1.061 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5072(lit.)
인화점: 174 °F · 174 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 9.84 · 9.84±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.061 · 1.061
색상: 노란색
수용성: 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

GHS Classification · 4건

Danger

H301 (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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (93.2%)

안전 데이터

wgk: 3
ridadr: UN 2922 8/PG 2
HS 번호: 29214200
risk_code: 23/24/25-34
hazard_code: T,C
safety_code: 26-27-36/37/39-45
포장분류: Ⅱ
위험 등급: 8
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야 · 1건

용도4-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.