2-클로로-5-하이드록시메틸 피리딘

(6-Chloropyridin-3-yl)methanol

HCID 177161CAS 21543-49-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCc1ccc(Cl)nc1
InChIKey: GOXYBEXWMJZLJB-UHFFFAOYSA-N
분자식: C6H6ClNO
평균 분자량: 143.57 g/mol
단동위원소 질량: 143.0137915

이름 및 식별자

우선 이름: (6-Chloropyridin-3-yl)methanol
IUPAC: (6-chloro-3-pyridinyl)methanol
현지명: 2-클로로-5-하이드록시메틸 피리딘
영어명: 2-Chloro-5-hydroxymethylpyridine
분자식: C6H6ClNO
분자량: 143.57

이름 및 동의어

21543-49-7(6-chloropyridin-3-yl)methanolDTXSID20175880RefChem:209733DTXCID7098371628-017-42-Chloro-5-hydroxymethylpyridine2-Chloro-5-(hydroxymethyl)pyridine6-Chloro-3-pyridinemethanol2-Chloro-5-pyridinemethanol(6-Chloro-3-pyridinyl)methanol6-Chloropyridine-3-methanol

이름 더 보기

2-클로로-5-하이드록시메틸 피리딘oro-3-pyridinyLLazabemide Impurity 1302-Chloro-5-Hydroxymethyl3-PyridineMethanol,6-chloro-(6-Chlorpyridin-3-yl)methanol

3-PYRIDINEMETHANOL, 6-CHLORO-MFCD010752266-chloro-3-pyridylmethanol5-hydroxymethyl-2-chloropyridine(6-chloro-3-pyridyl)methanol6-CHLORO-3-(HYDROXYMETHYL)PYRIDINE6-chloro-3-pyridinecarbinolXD33A4CCQ8

데이터베이스 식별자

CAS: 21543-49-7
PubChem CID: 177161
DTXSID: DTXSID20175880
UNII: XD33A4CCQ8
EC Number: 628-017-4
Nikkaji: J831.777A

물성

구조 계산 물성

XLogP: 0.9
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: 89

물리화학적 성질

녹는점: 51 · 51-54 °C (lit.)
끓는 점: 120 °C · 120°C 0,4mm
밀도: 1.28 · 1.280
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: 분말 또는 저융점 고체
산도 계수 (pKa): 13.32 · 13.32±0.10(Predicted)
색상: 흰색에서 갈색으로
BRN: 1525126 · 1525126
InChI: InChI=1S/C6H6ClNO/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2
InChIKey: GOXYBEXWMJZLJB-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=CC=C1CO

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；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.

유해성 정보

Regulatory InformationCommission Regulation No 844/2012

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

규제 정보

Regulatory InformationCommission Regulation No 844/2012

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
기존화학 물질: 97-3-174
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Chloro-5-hydroxymethylpyridine is a metabolite of the active substance 2-chloro-5,6-dihydroxymethylpyridine (mk-0674), which has been shown to inhibit cytochrome P450 enzymes. It is found in urine samples from patients treated with mk-0674 and can be used to monitor the efficacy of treatment.