2-플루오로페네틸아민

2-(2-Fluorophenyl)ethylamine

HCID 643357CAS 52721-69-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCCc1ccccc1F
InChIKey: RIKUOLJPJNVTEP-UHFFFAOYSA-N
분자식: C8H10FN
평균 분자량: 139.17 g/mol
단동위원소 질량: 139.07972754

이름 및 식별자

우선 이름: 2-(2-Fluorophenyl)ethylamine
IUPAC: 2-(2-fluorophenyl)ethanamine
현지명: 2-플루오로페네틸아민
영어명: 2-Fluorophenethylamine
분자식: C8H10FN
분자량: 139.17

이름 및 동의어

2-(2-fluorophenyl)ethylamineRefChem:453893628-273-72-Fluorophenethylamine52721-69-42-(2-fluorophenyl)ethanaminebenzeneethanamine, 2-fluoro-2-(2-Fluorophenyl)Ethan-1-AmineMFCD00075502CHEMBL3799162-Fluorophenethyl amine2-fluorobenzeneethanamine

이름 더 보기

2-플루오로페네틸아민RARECHEM AL BW 0202FluorophenethylaMiner2-FLUOROPHETHYLAMINE 99%2-Fluorophenethylamine,99%2-FLUOROPHENETHYLAMINE 98%2-Fluorophenethylamine, 95%2-Fluorophenethylamine ,98%BenzeneethanaMine,2-fluoro-

2-(2-Fluoro-phenyl)-ethylamine2-fluoro-phenethylamine2-Fluorophenethylamine, 99%SCHEMBL158935SCHEMBL3003527SCHEMBL20985487SCHEMBL29401035DTXSID90349152

데이터베이스 식별자

CAS: 52721-69-4
PubChem CID: 643357
DTXSID: DTXSID90349152
ChEMBL: CHEMBL379916
EC Number: 628-273-7
Nikkaji: J545.482D

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: 95.3

물리화학적 성질

끓는 점: 64 °C/0.6 · 64 °C/0.6 mmHg (lit.)
밀도: 1.066 g/mL · 1.066 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.51(lit.)
인화점: 171 °F · 171 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 9.47 · 9.47±0.10(Predicted)
색상: 투명한 노란색에서 진한 노란색, 주황색까지
InChI: 1S/C8H10FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
InChIKey: RIKUOLJPJNVTEP-UHFFFAOYSA-N
SMILES: NCCc1ccccc1F

화학적 성질

Clear pale yellow to slightly pink liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (93.2%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (93.2%)

안전 데이터

wgk: 3
ridadr: UN 2735 8/PG 2
HS 번호: 29214990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
포장분류: II
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도2-Fluorophenethylamine may be used in the synthesis of ethyl 2-cyano-3-(N-2-fluorophenethylamino)-3-methythioacrylate. It may be used for the derivatization of methoxybenzaldehyde polystyrene resin.

일반 설명2-Fluorophenethylamine is an amine.