4-Iodo-2-methyl-1-(2,2,2-trifluoroethyl)-1H-imidazole

HCID 21985398

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 824431-97-2
표준 SMILES: Cc1nc(I)cn1CC(F)(F)F
InChIKey: GGSVXDGOBFDIRX-UHFFFAOYSA-N
분자식: C6H6F3IN2
평균 분자량: 290.02 g/mol
단동위원소 질량: 289.95278

이름 및 식별자

우선 이름: 4-Iodo-2-methyl-1-(2,2,2-trifluoroethyl)-1H-imidazole
IUPAC: 4-iodo-2-methyl-1-(2,2,2-trifluoroethyl)imidazole
영어명: 4-Iodo-2-methyl-1-(2,2,2-trifluoroethyl)-1H-imidazole
분자식: C6H6F3IN2
분자량: 290.02

이름 및 동의어

824431-97-24-Iodo-2-methyl-1-(2,2,2-trifluoroethyl)-1H-imidazoleDTXSID80621191RefChem:293519DTXCID80571945843-867-81H-Imidazole, 4-iodo-2-methyl-1-(2,2,2-trifluoroethyl)-4-IODO-2-METHYL-1-(2,2,2-TRIFLUOROETHYL)IMIDAZOLE4-Iodo-2-methyl-1-(2,2,2-trifluoro-ethyl)-1H-imidazoleSCHEMBL2380058ZHB43197MFCD27929281

이름 더 보기

DB-229159CS-0376963F83907EN300-4518115F760866A1-10914

데이터베이스 식별자

CAS: 824431-97-2
PubChem CID: 21985398
DTXSID: DTXSID80621191
EC Number: 843-867-8

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 161

물리화학적 성질

끓는 점: 280 · 280.0±40.0 °C(Predicted)
밀도: 1.97 · 1.97±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 4.22 · 4.22±0.60(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, P319, P321, P330, P332+P317, P337+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.