2-히드록시-4,6-디메틸피리딘-3-카르보니트릴

3-Cyano-4,6-dimethyl-2-hydroxypyridine

HCID 69856

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 769-28-8
표준 SMILES: Cc1cc(C)c(C#N)c(=O)[nH]1
InChIKey: OCYMJCILWYHKAU-UHFFFAOYSA-N
분자식: C8H8N2O
평균 분자량: 148.16 g/mol
단동위원소 질량: 148.06366288

개요

2-Hydroxy-4,6-dimethylnicotinonitrile is a nitrile and a member of pyridines.

이름 및 식별자

우선 이름: 3-Cyano-4,6-dimethyl-2-hydroxypyridine
IUPAC: 4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
현지명: 2-히드록시-4,6-디메틸피리딘-3-카르보니트릴
영어명: 3-Cyano-4,6-dimethyl-2-hydroxypyridine
분자식: C8H8N2O
분자량: 148.16

이름 및 동의어

769-28-83-Cyano-4,6-dimethyl-2-hydroxypyridine2-Hydroxy-4,6-dimethylnicotinonitrile4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile2-Hydroxy-4,6-dimethylpyridine-3-carbonitrile3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo-3-CYANO-4,6-DIMETHYL-2-PYRIDONENicotinonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo-UNII-OTS4S2R79EEINECS 212-207-5OTS4S2R79EAI3-17235

이름 더 보기

2-히드록시-4,6-디메틸피리딘-3-카르보니트릴3-사이아노-4,6-다이메틸-2-하이드록시피리딘AKOS B029123AKOS B016302AKOS BB/0096Compound Fr13659AKOS BBS-00008241Guareschi PyridoneTIMTEC-BB SBB004084ART-CHEM-BB B016302

1,2-Dihydro-4,6-dimethyl-2-oxonicotinonitrileNSC-52066NSC-541613-cyano-4,6-dimethyl-2(1H)-pyridinoneDTXSID30221183-CYANO-4,6-DIMETHYL-2(1H)-PYRIDONE4,6-Dimethyl-3-cyano-2-pyridoneNSC 52066

데이터베이스 식별자

CAS: 769-28-8
PubChem CID: 69856
DTXSID: DTXSID3022118
ChEBI: CHEBI:194823
UNII: OTS4S2R79E
EC Number: 212-207-5
Nikkaji: J103.254B

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 52.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 314

물리화학적 성질

녹는점: 285 · 285-287 °C (lit.)
끓는 점: 268.75 °C · 268.75°C (rough estimate)
밀도: 1.1828 · 1.1828 (rough estimate)
굴절률: 1.6 · 1.6000 (estimate)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 9.06 · 9.06±0.10(Predicted)
색상: White to Light yellow to Light orange
BRN: 130992 · 130992
InChI: InChI=1S/C8H8N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11)
InChIKey: OCYMJCILWYHKAU-UHFFFAOYSA-N
SMILES: C1(=O)NC(C)=CC(C)=C1C#N

화학적 성질

WHITE FINE CRYSTALS OR CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

안전 데이터

wgk: 3
rtecs: QT3046500
ridadr: 3276
HS 번호: 29333990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids