CAS 86869-14-9 5-Hydroxypyridine-2-carbonitrile (HCID 21413773)

기본 정보

CAS: 86869-14-9
표준 SMILES: N#Cc1ccc(O)cn1
InChIKey: YUEKWNYGXNDQRO-UHFFFAOYSA-N
분자식: C6H4N2O
평균 분자량: 120.11 g/mol
단동위원소 질량: 120.03236276

이름 및 식별자

우선 이름: 5-Hydroxypyridine-2-carbonitrile
IUPAC: 5-hydroxypyridine-2-carbonitrile
영어명: 2-Cyano-5-hydroxypyridine
분자식: C6H4N2O
분자량: 120.11

이름 및 동의어

86869-14-95-Hydroxypyridine-2-carbonitrileDTXSID60613397RefChem:303478DTXCID00564152640-937-82-cyano-5-hydroxypyridine5-HydroxypicolinonitrileMFCD073681972-Pyridinecarbonitrile, 5-hydroxy-2-cyano-5-pyridinol6-Cyano-3-pyridinol

이름 더 보기

5-Hydroxy-2-pyridinecarbonitrile5-Hydroxy-pyridin-2-carbonitrile5-hydroxypicolinonitrile, 98%min5-Hydroxypyridine-2-carbonitrile 98%2-Cyano-5-hydroxypyridine ISO 9001：2015 REACH5-Hydroxypicolinonitrile, 2-Cyano-5-hydroxypyridine, 6-Cyanopyridin-3-ol

5-hydroxy-2-cyanopyridine2-cyano-5-hydroxy pyridineSCHEMBL3122645-hydSCHEMBL4557065-hydroxypyridin-2-carbonitrileSCHEMBL30457749YUEKWNYGXNDQRO-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 86869-14-9
PubChem CID: 21413773
DTXSID: DTXSID60613397
EC Number: 640-937-8

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 56.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 137

물리화학적 성질

끓는 점: 429.2 · 429.2±30.0 °C(Predicted)
밀도: 1.33 · 1.33
인화점: 213 ℃ · 213℃
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 3.23 · 3.23±0.18(Predicted)
색상: 베이지색
InChI: InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)4-8-5/h1-2,4,9H
InChIKey: YUEKWNYGXNDQRO-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(O)C=C1

화학적 성질

Light yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.