2-트리플루오로메틸-5,6,7,8-테트라하이드로피리도[4,3-D]피리미딘

2-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine

HCID 53471483CAS 741737-16-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: FC(F)(F)c1ncc2c(n1)CCNC2
InChIKey: CKMCVIMYBWEVKX-UHFFFAOYSA-N
분자식: C8H8F3N3
평균 분자량: 203.16 g/mol
단동위원소 질량: 203.06703175

이름 및 식별자

우선 이름: 2-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
IUPAC: 2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
현지명: 2-트리플루오로메틸-5,6,7,8-테트라하이드로피리도[4,3-D]피리미딘
영어명: 2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE
분자식: C8H8F3N3
분자량: 203.16

이름 및 동의어

2-(TRIFLUOROMETHYL)-5H,6H,7H,8H-PYRIDO[4,3-D]PYRIMIDINE2-(trifluoromethyl)-5H,6H,7H,8H-pyrido(4,3-d)pyrimidineRefChem:462527878-078-8741737-16-62-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINEPyrido[4,3-d]pyrimidine,5,6,7,8-tetrahydro-2-(trifluoromethyl)-SCHEMBL3639116DTXSID407036642-trifluoromethyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidineAKOS023401765AB59012

이름 더 보기

2-트리플루오로메틸-5,6,7,8-테트라하이드로피리도[4,3-D]피리미딘2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINEPyrido[4,3-d]pyrimidine, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-

CS-0083445EN300-1718697Z1269244568

데이터베이스 식별자

CAS: 741737-16-6
PubChem CID: 53471483
DTXSID: DTXSID40703664
EC Number: 878-078-8

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 37.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 206

물리화학적 성질

끓는 점: 214.7 · 214.7±40.0 °C(Predicted)
밀도: 1.334 · 1.334±0.06 g/cm3(Predicted)
산도 계수 (pKa): 6.56 · 6.56±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.