5-Fluoro-2-methylpyridine

HCID 2762863CAS 31181-53-0

기본 정보

표준 SMILES: Cc1ccc(F)cn1
InChIKey: LXAHHHIGZXPRKQ-UHFFFAOYSA-N
분자식: C6H6FN
평균 분자량: 111.12 g/mol
단동위원소 질량: 111.04842736

이름 및 식별자

우선 이름: 5-Fluoro-2-methylpyridine
IUPAC: 5-fluoro-2-methylpyridine
영어명: 5-Fluoro-2-methylpyridine
분자식: C6H6FN
분자량: 111.12

이름 및 동의어

5-fluoro-2-methylpyridine31181-53-0DTXSID10376521RefChem:303169DTXCID20327549814-475-45-fluoro-2-picoline3-Fluoro-6-picolineMFCD030952715-fluoro-2-methyl-pyridine3-fluoro-6-methylpyridinePYRIDINE, 5-FLUORO-2-METHYL-

이름 더 보기

3-Fluoro-6-picoline 98%2-methyl-5-fluoro-pyridine5-Fluoro-2-methylpyridine 98+%5-Fluoro-2-methylpyridine, 97%5-FLUORO-2-PICOLINE5-FLUORO-2-METHYLPYRIDINE

5-Fluoro -2-picolineSCHEMBL424656SCHEMBL754139SCHEMBL932697SCHEMBL1439318SCHEMBL16114306SCHEMBL22978495SCHEMBL29918724

데이터베이스 식별자

CAS: 31181-53-0
PubChem CID: 2762863
DTXSID: DTXSID10376521
EC Number: 814-475-4

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 74

물리화학적 성질

끓는 점: 135 · 135-136 C
밀도: 1.077 g/ml · 1.077g/ml
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 3.53 · 3.53±0.10(Predicted)
색상: Clear, almost colourless
InChI: InChI=1S/C6H6FN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3
InChIKey: LXAHHHIGZXPRKQ-UHFFFAOYSA-N
SMILES: C1(C)=NC=C(F)C=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 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.