CAS 590371-73-6 4-Iodo-2-(trifluoromethyl)pyridine (HCID 23436940)

기본 정보

CAS: 590371-73-6
표준 SMILES: FC(F)(F)c1cc(I)ccn1
InChIKey: OYQSAEIWDLIZHC-UHFFFAOYSA-N
분자식: C6H3F3IN
평균 분자량: 272.99 g/mol
단동위원소 질량: 272.92623176

이름 및 식별자

우선 이름: 4-Iodo-2-(trifluoromethyl)pyridine
IUPAC: 4-iodo-2-(trifluoromethyl)pyridine
영어명: 4-Iodo-2-(trifluoromethyl)pyridine
분자식: C6H3F3IN
분자량: 272.99

이름 및 동의어

4-iodo-2-(trifluoromethyl)pyridine590371-73-6DTXSID70634098RefChem:99438DTXCID00584850691-034-0MFCD082349392-(trifluoromethyl)-4-iodopyridinePyridine, 4-iodo-2-(trifluoromethyl)-SCHEMBL365253SCHEMBL296233494-iodo-2-trifluoromethylpyridine

이름 더 보기

4-lodo-2-(trifluoromethyl)pyridine4-IODE-2-(TRIFLUOROMETHYL)PYRIDINEPyridine,4-iodo-2-(trifluoromethyl)-4-Iodo-2-(trifluoromethyl)pyridine97%4-Iodo-2-(trifluoromethyl)pyridine 97%4-Iodo-2-(trifluoromethyl)pyridine ISO 9001：2015 REACH4-Iode-2-(trifluoromethyl)pyridine (not restricted/prohibited)(lab chemical)

SBB054363AKOS015853872CS-W018675PS-7268AC-22565SY014838DB-023068EN300-213769

데이터베이스 식별자

CAS: 590371-73-6
PubChem CID: 23436940
DTXSID: DTXSID70634098
EC Number: 691-034-0

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 24 · 24-26 °C
끓는 점: 206.2 · 206.2±35.0 °C(Predicted)
밀도: 1.974 g/ml · 1.974g/ml
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체
산도 계수 (pKa): -0.82 · -0.82±0.20(Predicted)
색상: Clear, colourless to pale yellow
InChI: InChI=1S/C6H3F3IN/c7-6(8,9)5-3-4(10)1-2-11-5/h1-3H
InChIKey: OYQSAEIWDLIZHC-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)=NC=CC(I)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933399990
hazard_code: Xi
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도4-Iodo-2-(trifluoromethyl)pyridine is used as a reagent in the synthesis of aminoisoindoles as β-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors which exhibit in vivo brain reduction of β-amyloid peptides.