7-(트리플루오로메틸)-1,2,3,4-테트라히드로이소퀴놀린

7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

HCID 10375551

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 199678-32-5
표준 SMILES: FC(F)(F)c1ccc2c(c1)CNCC2
InChIKey: NGQHLYGRTFVUEM-UHFFFAOYSA-N
분자식: C10H10F3N
평균 분자량: 201.19 g/mol
단동위원소 질량: 201.07653381

이름 및 식별자

우선 이름: 7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
IUPAC: 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
현지명: 7-(트리플루오로메틸)-1,2,3,4-테트라히드로이소퀴놀린
영어명: 7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
분자식: C10H10F3N
분자량: 201.19

이름 및 동의어

7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline199678-32-5DTXSID50438899RefChem:310216DTXCID00389721816-891-17-Trifluoromethyl-1,2,3,4-tetrahydroisoquinolineMFCD080592967-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinolineCHEMBL274997-trifluoromethyl-tetrahydroisoquinolineISOQUINOLINE, 1,2,3,4-TETRAHYDRO-7-(TRIFLUOROMETHYL)-

이름 더 보기

7-(트리플루오로메틸)-1,2,3,4-테트라히드로이소퀴놀린T901017-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hcl 97%

SCHEMBL183621SCHEMBL2300516SCHEMBL29808272BDBM50072979EBC-03588AKOS005264251AB43077AS-47661

데이터베이스 식별자

CAS: 199678-32-5
PubChem CID: 10375551
DTXSID: DTXSID50438899
ChEMBL: CHEMBL27499
EC Number: 816-891-1
Nikkaji: J974.630G

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 202

물리화학적 성질

끓는 점: 228.9 · 228.9±35.0 °C(Predicted)
밀도: 1.213 · 1.213±0.06 g/cm3(Predicted)
산도 계수 (pKa): 8.85 · 8.85±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.