4-(트리플루오로메틸티오)벤질아민

4-(Trifluoromethylthio)benzylamine

HCID 2777875

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 128273-56-3
표준 SMILES: NCc1ccc(SC(F)(F)F)cc1
InChIKey: LACURGWEZCFLBO-UHFFFAOYSA-N
분자식: C8H8F3NS
평균 분자량: 207.22 g/mol
단동위원소 질량: 207.03295492

이름 및 식별자

우선 이름: 4-(Trifluoromethylthio)benzylamine
IUPAC: [4-(trifluoromethylsulfanyl)phenyl]methanamine
현지명: 4-(트리플루오로메틸티오)벤질아민
영어명: 4-(Trifluoromethylthio)benzylamine
분자식: C8H8F3NS
분자량: 207.22

이름 및 동의어

4-(Trifluoromethylthio)benzylamine128273-56-3DTXSID60380693RefChem:289552DTXCID90331719623-360-6[4-(trifluoromethylsulfanyl)phenyl]methanamine(4-((trifluoromethyl)thio)phenyl)methanamineMFCD00190129Benzenemethanamine, 4-[(trifluoromethyl)thio]-{4-[(trifluoromethyl)sulfanyl]phenyl}methanamine1-{4-[(trifluoromethyl)thio]phenyl}methanamine

이름 더 보기

4-(트리플루오로메틸티오)벤질아민(2,4-dichlorophenyl)(phenyl)methanoneCAS:128273-56-3RARECHEM AL BW 04504-(Trifluoromethylthio)benzyla4-(TRIFLUOMETHYLTHIO)BENZYLAMINE4-Trifluoromethylthio Benzyl Amide4-TRIFLUOROMETHYLSULFANYL-BENZYLAMINE4-(Trifluoromethylthio)benzylamine98%

SCHEMBL1146178SCHEMBL70538644-(trifluromethylthio)benzylamine1-{4-[(TRIFLUOROMETHYL)SULFANYL]PHENYL}METHANAMINELACURGWEZCFLBO-UHFFFAOYSA-N4-[(trifluoromethyl)thio]benzylamineSBB070441AKOS000130248

데이터베이스 식별자

CAS: 128273-56-3
PubChem CID: 2777875
DTXSID: DTXSID60380693
EC Number: 623-360-6

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 51.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 152

물리화학적 성질

녹는점: 224 · 224-225 ºC (760 MMHG)
끓는 점: 224 · 224-225 °C/760 mmHg (lit.)
밀도: 1.31 g/mL · 1.310 g/mL (lit.)
굴절률: 20 · n20/D 1.5040(lit.)
인화점: 175 °F · 175 °F
산도 계수 (pKa): 8.66 · 8.66±0.10(Predicted)
물리적 상태: 액체
색상: 클리어, 옐로우
InChI: 1S/C8H8F3NS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
InChIKey: LACURGWEZCFLBO-UHFFFAOYSA-N
SMILES: NCc1ccc(SC(F)(F)F)cc1

안전 및 규제

GHS 분류

GHS Classification · 4건

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 45 reports by companies from 4 notifications to the ECHA C&L Inventory.