CAS 950691-52-8 6-Chloro-5-fluoropyridine-3-carbaldehyde (HCID 21698194)

기본 정보

CAS: 950691-52-8
표준 SMILES: O=Cc1cnc(Cl)c(F)c1
InChIKey: MNOGYCPIVIXHRK-UHFFFAOYSA-N
분자식: C6H3ClFNO
평균 분자량: 159.54 g/mol
단동위원소 질량: 158.9887196

이름 및 식별자

우선 이름: 6-Chloro-5-fluoropyridine-3-carbaldehyde
IUPAC: 6-chloro-5-fluoropyridine-3-carbaldehyde
현지명: 6-클로로-3-플루오로니코틴알데히드
영어명: 6-Chloro-3-fluoronicotinaldehyde
분자식: C6H3ClFNO
분자량: 159.55

이름 및 동의어

950691-52-86-CHLORO-5-FLUOROPYRIDINE-3-CARBALDEHYDEDTXSID90617065RefChem:308014DTXCID90567819966-658-46-chloro-5-fluoronicotinaldehyde6-Chloro-5-fluoro-pyridine-3-carbaldehydeMFCD131890606-CHLORO-5-FLUORO-3-PYRIDINECARBOXALDEHYDESCHEMBL875527SCHEMBL30361044

이름 더 보기

6-클로로-3-플루오로니코틴알데히드6-Chloro-3-fluoronicotinaldehyde2-Chloro-3-fluoro-5-formylpyridine2-Chloro-3-fluoropyridine-3-carboxaldehyde3-PYRIDINECARBOXALDEHYDE,6-CHLORO-5-FLUORO-6-chloro-5-fluoro-pyridine-3-carbaldehyde - [C88048]

MNOGYCPIVIXHRK-UHFFFAOYSA-NAKOS016007339AB676616-chloro-5-fluoro-3-pyridinecarbaldehydeAC-33404BS-24663SY1233856-chloro-5-fluoro-3-pyridine carbaldehyde

데이터베이스 식별자

CAS: 950691-52-8
PubChem CID: 21698194
DTXSID: DTXSID90617065
EC Number: 966-658-4

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 133

물리화학적 성질

끓는 점: 235 ℃ · 235℃
밀도: 1.444 · 1.444
인화점: 96 ℃ · 96℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: solid
산도 계수 (pKa): -2.04 · -2.04±0.10(Predicted)
InChI: 1S/C6H3ClFNO/c7-6-5(8)1-4(3-10)2-9-6/h1-3H
InChIKey: MNOGYCPIVIXHRK-UHFFFAOYSA-N
SMILES: FC1=CC(C=O)=CN=C1Cl

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.