6-Methyl-2-pyridylmethanol

HCID 70736CAS 1122-71-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccc(CO)n1
InChIKey: JLVBSBMJQUMAMW-UHFFFAOYSA-N
분자식: C7H9NO
평균 분자량: 123.15 g/mol
단동위원소 질량: 123.06841391

개요

6-methyl-2-pyridinemethanol is a member of methylpyridines.

이름 및 식별자

우선 이름: 6-Methyl-2-pyridylmethanol
IUPAC: (6-methyl-2-pyridinyl)methanol
영어명: 6-METHYL-2-PYRIDINEMETHANOL
분자식: C7H9NO
분자량: 123.15

이름 및 동의어

6-Methyl-2-pyridinemethanol2-Pyridinemethanol, 6-methyl-6-Methyl-2-pyridylmethanolEINECS 214-358-2NSC 66528AI3-52476DTXSID901499526Methyl2pyridylmethanolRefChem:5438562Pyridinemethanol, 6methylDTXCID4072443214-358-2

이름 더 보기

RARECHEM AL BD 01836-METHYL-2-PYRIDINEM6-methyl-2-pyridinemthanol6-METHY-2-PYRIDINEMETHANOL2-Methyl-6-pyridinemethanol2-Methylpyridine-6-methanol

1122-71-0(6-Methylpyridin-2-yl)methanol(6-methyl-2-pyridyl)methanolMFCD000235202-Hydroxymethyl-6-methylpyridine6-methylpyridine-2-methanol6-Hydroxymethyl-2-picoline6-methyl-2-pyridylcarbinol

데이터베이스 식별자

CAS: 1122-71-0
PubChem CID: 70736
DTXSID: DTXSID90149952
ChEBI: CHEBI:167736
UNII: KLM9RS9ZWN
EC Number: 214-358-2
Nikkaji: J28.233B

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 85

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyridines

Physical DescriptionSolid; mp = 32-34 deg C; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 32 · 32-34 °C(lit.)
끓는 점: 105 · 105-108 °C12 mm Hg(lit.)
밀도: 1.0877 · 1.0877 (rough estimate)
굴절률: 1.538 · 1.5380 (estimate)
인화점: 228 °F · 228 °F
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 14.02 · 14.02±0.10(Predicted)
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light yellow
수용성: 물에 낮은 용해도, 에탄올, 아세트산에 높은 용해도. 벤젠, 톨루엔에 용해됩니다.
InChI: 1S/C7H9NO/c1-6-3-2-4-7(5-9)8-6/h2-4,9H,5H2,1H3
InChIKey: JLVBSBMJQUMAMW-UHFFFAOYSA-N
SMILES: Cc1cccc(CO)n1

화학적 성질

Clear light brown liquid or low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.