3-FLUORO-4-(트리플루오로메틸)벤질아민

3-Fluoro-4-(trifluoromethyl)benzylamine

HCID 2737567CAS 235106-09-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCc1ccc(C(F)(F)F)c(F)c1
InChIKey: XYWYEOHNURYGGP-UHFFFAOYSA-N
분자식: C8H7F4N
평균 분자량: 193.14 g/mol
단동위원소 질량: 193.05146188

이름 및 식별자

우선 이름: 3-Fluoro-4-(trifluoromethyl)benzylamine
IUPAC: [3-fluoro-4-(trifluoromethyl)phenyl]methanamine
현지명: 3-FLUORO-4-(트리플루오로메틸)벤질아민
영어명: 3-Fluoro-4-(trifluoromethyl)benzylamine
분자식: C8H7F4N
분자량: 193.14

이름 및 동의어

3-Fluoro-4-(trifluoromethyl)benzylamine235106-09-9DTXSID50372148RefChem:279410DTXCID60323181[3-fluoro-4-(trifluoromethyl)phenyl]methanamineMFCD00236287(3-fluoro-4-(trifluoromethyl)phenyl)methanamineBenzenemethanamine, 3-fluoro-4-(trifluoromethyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methylamine3-fluoro-4-trifluoromethylbenzylamineSCHEMBL297408

이름 더 보기

3-FLUORO-4-(트리플루오로메틸)벤질아민RARECHEM AL BW 08753-Fluoro-4-(trifluoromethyl)benzylamine 97%3-Fluoro-4-(trifluoromethyl)benzenemethanamine

SCHEMBL19356858SCHEMBL301396521-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]METHANAMINESBB091540AKOS006228783PS-8323s10416AC-25952

데이터베이스 식별자

CAS: 235106-09-9
PubChem CID: 2737567
DTXSID: DTXSID50372148
EC Number: 679-159-9

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: 195.1 · 195.1±35.0 °C(Predicted)
밀도: 1.312 · 1.312±0.06 g/cm3(Predicted)
굴절률: 1.453 · 1.453
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
산도 계수 (pKa): 8.34 · 8.34±0.10(Predicted)
물리적 상태: 액체
색상: Clear, yellow to light yellow
InChI: 1S/C8H7F4N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2
InChIKey: XYWYEOHNURYGGP-UHFFFAOYSA-N
SMILES: NCc1ccc(c(F)c1)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.