(6-Methylpyridin-3-yl)methanol

HCID 11228788

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 34107-46-5
표준 SMILES: Cc1ccc(CO)cn1
InChIKey: DJCJOWDAAZEMCI-UHFFFAOYSA-N
분자식: C7H9NO
평균 분자량: 123.15 g/mol
단동위원소 질량: 123.06841391

이름 및 식별자

우선 이름: (6-Methylpyridin-3-yl)methanol
IUPAC: (6-methyl-3-pyridinyl)methanol
영어명: (6-Methylpyridin-3-yl)methanol
분자식: C7H9NO
분자량: 123.15

이름 및 동의어

(6-methylpyridin-3-yl)methanol34107-46-5DTXSID50459327RefChem:209760DTXCID60410146684-200-95-hydroxymethyl-2-methylpyridine(6-methyl-3-pyridinyl)methanol3-Pyridinemethanol, 6-methyl-MFCD086920035-(HYDROXYMETHYL)-2-METHYLPYRIDINE3-Pyridinemethanol,6-methyl-

이름 더 보기

5-Hydroxymethyl-2-picoline6-Methylpyridine-3-methanol6-Methyl-3-PyridineMethanol(6-Methyl-3-pyridyl)methanol6-(Methylpyridin-3-yl)methano6-Methyl-3-pyridinemethanol >5-Hyroxymethyl-2-methylpyridine

(6-Methyl-pyridin-3-yl)-methanol2-methyl-5-hydroxymethylpyridine5-hydroxymethyl-2-methyl-pyridineAKOS005073703CS-W001029SB12349SY028280(6-METHYL-PYRIDIN-3-YL)METHANOL

데이터베이스 식별자

CAS: 34107-46-5
PubChem CID: 11228788
DTXSID: DTXSID50459327
EC Number: 684-200-9
Nikkaji: J1.802.443H

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

물리화학적 성질

녹는점: 43 · 43-47 °C
끓는 점: 100 °C/0.7mmHg · 100°C/0.7mmHg(lit.)
밀도: 1.092 · 1.092±0.06 g/cm3(Predicted)
굴절률: 20 · n20/D 1.540
인화점: 110 °C · >110°C
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 13.7 · 13.70±0.10(Predicted)
색상: 하얀색
InChI: InChI=1S/C7H9NO/c1-6-2-3-7(5-9)4-8-6/h2-4,9H,5H2,1H3
InChIKey: DJCJOWDAAZEMCI-UHFFFAOYSA-N
SMILES: C1=NC(C)=CC=C1CO

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.