1-(4-Fluorophenyl)ethylamine

HCID 123063CAS 403-40-7

기본 정보

표준 SMILES: CC(N)c1ccc(F)cc1
InChIKey: QGCLEUGNYRXBMZ-UHFFFAOYSA-N
분자식: C8H10FN
평균 분자량: 139.17 g/mol
단동위원소 질량: 139.07972754

이름 및 식별자

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

이름 및 동의어

1-(4-Fluorophenyl)ethylamineRefChem:4256251-(4-fluorophenyl)ethanamine403-40-74-Fluoro-alpha-methylbenzylamine1-(4-fluorophenyl)ethan-1-aminedl-4-fluoro-alpha-methylbenzylamineMFCD000413231-(4'-fluorophenyl)ethanamine4-Fluoro-a-methylbenzylamine4-Fluoro-|A-methylbenzylamine1-(p-fluorophenyl)-ethylamine

이름 더 보기

1-(4-플루오로페닐)에틸아민AKOS BC-26171-(4-FLUOROPHENYL)E1-(4-Fluorophenyl)ethamine-methyl-4-fluoro-benzylamine4-fluoro-α-methylbenzylaminep-Fluro-α--MethylbenzylaMine

(+/-)-1-(4-fluorophenyl)ethylamineP-FLUORO-ALPHA-METHYLBENZYLAMINEp-fluoro-a-methylbenzylamine4-Fluoro-alpha-methylbenzyl amine(rs)-1-(4-fluorophenyl)ethylamineEINECS 206-958-8(S)-4-Fluoro-alpha-methylbenzylaminealpha-methyl-4-fluorobenzylamine

데이터베이스 식별자

CAS: 403-40-7
PubChem CID: 123063
DTXSID: DTXSID80960739
UNII: P5LVU25R8A
EC Number: 206-958-8
Nikkaji: J213.660K

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: 145 °C · 145 °C(lit.)
밀도: 1.059 g/mL · 1.059 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.502(lit.)
인화점: 155 °F · 155 °F
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 8.98 · 8.98±0.10(Predicted)
색상: 투명한 무색~노란색 또는 연한 주황색
BRN: 2802417 · 2802417
InChI: 1S/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
InChIKey: QGCLEUGNYRXBMZ-UHFFFAOYSA-N
SMILES: CC(N)c1ccc(F)cc1
NIST: p-Fluoro-«alpha»-methylbenzylamine(403-40-7)

화학적 성질

Clear colorless to yellow or light orange liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (97.8%)

안전 데이터

wgk: 3
ridadr: UN 2735 8/PG 3
HS 번호: 29214990
risk_code: 34
hazard_code: C,Xi
safety_code: 26-27-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도4-Fluoro-α-methylbenzylamine was used in the synthesis of novel thioureas with diuretic and saluretic activity. It has also been used for nucleophilic substitution reactions.