2-FLUORO-5-(트리플루오로메틸)벤질아민

2-Fluoro-5-(trifluoromethyl)benzylamine

HCID 533839CAS 199296-61-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCc1cc(C(F)(F)F)ccc1F
InChIKey: WIQWADYBGSRGCF-UHFFFAOYSA-N
분자식: C8H7F4N
평균 분자량: 193.14 g/mol
단동위원소 질량: 193.0514621

이름 및 식별자

우선 이름: 2-Fluoro-5-(trifluoromethyl)benzylamine
IUPAC: [2-fluoro-5-(trifluoromethyl)phenyl]methanamine
현지명: 2-FLUORO-5-(트리플루오로메틸)벤질아민
영어명: 2-Fluoro-5-(trifluoromethyl)benzylamine
분자식: C8H7F4N
분자량: 193.14

이름 및 동의어

2-Fluoro-5-(trifluoromethyl)benzylamine199296-61-2DTXSID20336439RefChem:87094DTXCID70287528671-099-1WIQWADYBGSRGCF-UHFFFAOYSA-N[2-Fluoro-5-(trifluoromethyl)phenyl]methanamine2-fluoro-5-(trifluoromethyl)benzyl amineMFCD00061162Benzenemethanamine, 2-fluoro-5-(trifluoromethyl)-(2-fluoro-5-(trifluoromethyl)phenyl)methanamine

이름 더 보기

2-FLUORO-5-(트리플루오로메틸)벤질아민RARECHEM AL BW 06672-fluoro-5-(trifluoromethyl)benzyla2-Fluoro-5-(trifluoromethyl)benzylamine97%2-Fluoro-5-(trifluoromethyl)benzylamine 97%

[2-fluoro-5-(trifluoromethyl)phenyl]methylamine2-fluoro-5-trifluoromethylbenzylamine2-floro-5-(trifluoromethyl)benzylamine1-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]METHANAMINESCHEMBL6566SCHEMBL42905CK1111SBB091543

데이터베이스 식별자

CAS: 199296-61-2
PubChem CID: 533839
DTXSID: DTXSID20336439
EC Number: 671-099-1

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: 175.9 · 175.9±35.0 °C(Predicted)
밀도: 1.312 · 1.312±0.06 g/cm3(Predicted)
굴절률: 1.451 · 1.451
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 8.27 · 8.27±0.10(Predicted)
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
InChI: InChI=1S/C8H7F4N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H,4,13H2
InChIKey: WIQWADYBGSRGCF-UHFFFAOYSA-N
SMILES: C1(CN)=CC(C(F)(F)F)=CC=C1F
NIST: 2 · 2-Fluoro-5-(trifluoromethyl)benzylamine(199296-61-2)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.