5,6-디클로로-3-피리딘메탄올

(5,6-Dichloropyridin-3-yl)methanol

HCID 21882961CAS 54127-30-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCc1cnc(Cl)c(Cl)c1
InChIKey: ZOFUUOULXZPZHP-UHFFFAOYSA-N
분자식: C6H5Cl2NO
평균 분자량: 178.01 g/mol
단동위원소 질량: 176.97481914

이름 및 식별자

우선 이름: (5,6-Dichloropyridin-3-yl)methanol
IUPAC: (5,6-dichloro-3-pyridinyl)methanol
현지명: 5,6-디클로로-3-피리딘메탄올
영어명: 5,6-Dichloro-3-pyridinemethanol
분자식: C6H5Cl2NO
분자량: 178.02

이름 및 동의어

(5,6-Dichloropyridin-3-yl)methanol54127-30-9DTXSID20619375RefChem:403560DTXCID70570129640-156-25,6-Dichloro-3-pyridinemethanol2,3-Dichloro-5-(hydroxymethyl)pyridine5,6-Dichloropyridine-3-methanolMFCD006715153-Pyridinemethanol, 5,6-dichloro-2,3-Dichloro-5-hydroxymethylpyridine

이름 더 보기

5,6-디클로로-3-피리딘메탄올Dichloropyridinemethanol2,3-Dichloro-5-pyridinemethanol5,6-Dichloro-3-pyridinemethanol>(5,6-dichloropyridin-3-yl)methanol5,6-dichloro-3-pyridinemethanol96+%

5,6-Dichloronicotinyl AlcoholSCHEMBL1131685,6-dichloro-3-pyridine methanol2,3-dichloro-5-hydroxylmethylpyridineBP-13212EN300-1963469(5,6-dichloro-3-pyridinyl)methanol3-Pyridinemethanol,5,6-dichloro-

데이터베이스 식별자

CAS: 54127-30-9
PubChem CID: 21882961
DTXSID: DTXSID20619375
EC Number: 640-156-2
Nikkaji: J1.388.042E

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 112

물리화학적 성질

녹는점: 76 °C · 76°C
끓는 점: 297.7 · 297.7±35.0 °C(Predicted)
밀도: 1.478 · 1.478
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
물리적 상태: powder to crystal
산도 계수 (pKa): 12.96 · 12.96±0.10(Predicted)
색상: 흰색에서 회색, 갈색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

안전 데이터

HS 번호: 2933399990
risk_code: 36/37/38-22
hazard_code: Xn
safety_code: 26-36/37/39
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도5,6-Dichloro-3-pyridinemethanol acts as a novel CXCR3 (CXC chemokine receptor) inhibitor. It also is used in the synthesis of pyridine-based histone deacetylase inhibitors.