2-Fluoro-3-iodo-5-methylpyridine

HCID 10243220CAS 153034-78-7

기본 정보

표준 SMILES: Cc1cnc(F)c(I)c1
InChIKey: ANOOZLFFCNANTR-UHFFFAOYSA-N
분자식: C6H5FIN
평균 분자량: 237.01 g/mol
단동위원소 질량: 236.94507538

이름 및 식별자

우선 이름: 2-Fluoro-3-iodo-5-methylpyridine
IUPAC: 2-fluoro-3-iodo-5-methylpyridine
영어명: 2-Fluoro-3-iodo-5-methylpyridine
분자식: C6H5FIN
분자량: 237.01

이름 및 동의어

2-Fluoro-3-iodo-5-methylpyridine153034-78-7DTXSID30437229RefChem:260863DTXCID60388053663-768-12-Fluoro-3-iodo-5-picolineMFCD03095303Pyridine, 2-fluoro-3-iodo-5-methyl-SCHEMBL622619ANOOZLFFCNANTR-UHFFFAOYSA-NSBB054399

이름 더 보기

CAS:153034-78-7uoro-3-iodo-5-methyL2-Fluoro-3-iodo-5-picolin2,5-difluoro-3-iodopyridine2-fluoro-3-iodo-5-fluoropyridine2-Fluoro-3-iodo-5-methylpyridine ISO 9001：2015 REACH2-FLUORO-3-IODO-5-PICOLINE (2-FLUORO-3-IODO-5-METHYLPYRIDINE)

AKOS008901113DS-0826PS-76302-fluoro-3-iodo-5-methylpyridine, 95%AC-33390SY022310DB-024999CS-0007510

데이터베이스 식별자

CAS: 153034-78-7
PubChem CID: 10243220
DTXSID: DTXSID30437229
EC Number: 663-768-1
Nikkaji: J566.207I

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99.1

물리화학적 성질

녹는점: 38 · 38-42°C
끓는 점: 252.5 · 252.5±35.0 °C(Predicted)
밀도: 1.892 · 1.892±0.06 g/cm3(Predicted)
인화점: 110 ℃ · >110℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: solid
산도 계수 (pKa): -2.16 · -2.16±0.20(Predicted)
InChI: 1S/C6H5FIN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
InChIKey: ANOOZLFFCNANTR-UHFFFAOYSA-N
SMILES: Cc1cnc(F)c(I)c1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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

wgk: 3
HS 번호: 2933399990
risk_code: 36/37/38-36-41-22
hazard_code: T,Xi
safety_code: 26-36-39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Fluoro-3-iodo-5-methylpyridine is a tri-substituted pyridine used in the preparation of biologically active compounds such as protein kinase inhibitors.