(4-Fluoro-2-(trifluoromethyl)phenyl)methanamine

HCID 2734878CAS 202522-22-3

기본 정보

표준 SMILES: NCc1ccc(F)cc1C(F)(F)F
InChIKey: BLQGRYYLPWCHMA-UHFFFAOYSA-N
분자식: C8H7F4N
평균 분자량: 193.14 g/mol
단동위원소 질량: 193.0514621

이름 및 식별자

우선 이름: (4-Fluoro-2-(trifluoromethyl)phenyl)methanamine
IUPAC: [4-fluoro-2-(trifluoromethyl)phenyl]methanamine
영어명: 4-FLUORO-2-(TRIFLUOROMETHYL)BENZYLAMINE
분자식: C8H7F4N
분자량: 193.14

이름 및 동의어

(4-Fluoro-2-(trifluoromethyl)phenyl)methanamine[4-fluoro-2-(trifluoromethyl)phenyl]methanamineRefChem:402811671-100-5202522-22-34-Fluoro-2-(trifluoromethyl)benzylamine4-Fluoro-2-(trifluoromethyl)benzyl amine4-Fluoro-2-(trifluoromethyl)benzenemethanamineBenzenemethanamine, 4-fluoro-2-(trifluoromethyl)-MFCD000611641-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine[4-fluoro-2-(trifluoromethyl)phenyl]methylamine

이름 더 보기

RARECHEM AL BW 06694-Fluoro-2-(trifluoromethyl)benzylamine97%4-Fluoro-2-(trifluoromethyl)benzylamine 97%4-Fluoro-2-(trifluoromethyl)benzylamine ,99%4-Fluoro-2-(trifluoromethyl)benzylamine, 98.5%[[4-Fluoro-2-(trifluoromethyl)phenyl]methyl]amine

Benzenemethanamine,4-Fluoro-2-trifluoromethylbenzylamineSCHEMBL109671DTXSID103705492-trifluoromethyl-4-fluorobenzylamineCK2393SBB0915474-fluoro-2-trifluoromethyl benzylamine

데이터베이스 식별자

CAS: 202522-22-3
PubChem CID: 2734878
DTXSID: DTXSID10370549
EC Number: 671-100-5

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 168

물리화학적 성질

끓는 점: 177 ℃ · 177℃
밀도: 1.312 · 1.312
굴절률: 1.453 · 1.453
인화점: 73 ℃ · 73℃
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
산도 계수 (pKa): 8.21 · 8.21±0.10(Predicted)
물리적 상태: 액체
색상: Clear, almost colourless

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H227 (16.7%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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 CategoriesFlam. Liq. 4 (16.7%)

안전 데이터

ridadr: 2735
HS 번호: 29214200
risk_code: 34
hazard_code: C,Xi
safety_code: 45-36/37/39-26-23-20
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive/Store under nitrogen

화학 및 산업

응용 분야

용도4-Fluoro-2-(trifluoromethyl)benzylamine is used for preparation of heterocycle-substituted amide derivatives as ACAT inhibitors for pharmaceuticals compositions.