2-Chloro-5-fluoro-4-iodopyridine

HCID 24820495CAS 884494-49-9

기본 정보

표준 SMILES: Fc1cnc(Cl)cc1I
InChIKey: CRLPRXQOSARJCF-UHFFFAOYSA-N
분자식: C5H2ClFIN
평균 분자량: 257.43 g/mol
단동위원소 질량: 256.89045

이름 및 식별자

우선 이름: 2-Chloro-5-fluoro-4-iodopyridine
IUPAC: 2-chloro-5-fluoro-4-iodopyridine
영어명: 2-CHLORO-5-FLUORO-4-IODOPYRIDINE
분자식: C5H2ClFIN
분자량: 257.43

이름 및 동의어

2-chloro-5-fluoro-4-iodopyridine884494-49-9DTXSID50647540RefChem:258929DTXCID60598291800-457-3MFCD03095306Pyridine, 2-chloro-5-fluoro-4-iodo-SCHEMBL3594352-chloro-5-fluoro-4-iodpyridine2-chloro-4-iodo-5-fluoropyridineAKOS005259148

이름 더 보기

Methyl 7-bromopicolinate2-Chloro-5-Fluoro-4-Iodopyridine98%2-Chloro-5-fluoro-4-iodopyridine 98%2-CHLORO-5-FLUORO-4-IODOPYRIDINE ISO 9001：2015 REACH

CS-W000348AB13669AC-27893AM62405SCHEMBL29457227SCHEMBL29457228BBL102564STL556367

데이터베이스 식별자

CAS: 884494-49-9
PubChem CID: 24820495
DTXSID: DTXSID50647540
EC Number: 800-457-3

물성

구조 계산 물성

XLogP: 2.6
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: 103

물리화학적 성질

끓는 점: 242 ℃ · 242℃
밀도: 2.129 · 2.129
인화점: 100 ℃ · 100℃
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): -2.37 · -2.37±0.10(Predicted)
InChI: InChI=1S/C5H2ClFIN/c6-5-1-4(8)3(7)2-9-5/h1-2H
InChIKey: CRLPRXQOSARJCF-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(F)C(I)=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (20%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (40%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (80%): 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, P305+P354+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 5 reports by companies from 5 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.