(2-Chloropyridin-3-yl)methanol

HCID 2763647

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 42330-59-6
표준 SMILES: OCc1cccnc1Cl
InChIKey: HMPDWSBKPCOQDW-UHFFFAOYSA-N
분자식: C6H6ClNO
평균 분자량: 143.57 g/mol
단동위원소 질량: 143.01379149

이름 및 식별자

우선 이름: (2-Chloropyridin-3-yl)methanol
IUPAC: (2-chloro-3-pyridinyl)methanol
영어명: (2-Chloro-3-pyridinyl)methanol
분자식: C6H6ClNO
분자량: 143.57

이름 및 동의어

42330-59-6(2-chloropyridin-3-yl)methanol2-Chloro-3-pyridinemethanolDTXSID90377071RefChem:395684DTXCID00328099690-999-5(2-Chloro-3-pyridinyl)methanol2-Chloro-3-PyridinylMethanol2-chloro-3-(hydroxymethyl)pyridine2-chloro-3-pyridinyl methanolMFCD01935961

이름 더 보기

oro-3-pyridinemethanoL2-Chloropyridine-3-Methanol2-Chloro-3-(hydroxymethyl...2-Chloro-3-pyridinemethanol>(2-CHLORO-3-PYRIDINYL)METHANOL(2-chloropyridinyl)-3-methanol

(2-Chloro-pyridin-3-yl)-methanol(2-chloro-3-pyridyl)methanol3-PYRIDINEMETHANOL, 2-CHLORO-2-CHLORO-3-HYDROXYMETHYLPYRIDINESCHEMBL580627CL0067AKOS005070072NCGC00322572-01

데이터베이스 식별자

CAS: 42330-59-6
PubChem CID: 2763647
DTXSID: DTXSID90377071
UNII: WCE8N457DA
EC Number: 690-999-5
Nikkaji: J2.263.476C

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: 89.1

물리화학적 성질

녹는점: 54 °C · 54 °C
끓는 점: 112 ℃/0.2mm · 112℃/0.2mm
밀도: 1.324 · 1.324±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 13 · 13.00±0.10(Predicted)
색상: 흰색에서 회색, 갈색까지
InChI: InChI=1S/C6H6ClNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2
InChIKey: HMPDWSBKPCOQDW-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC=C1CO

화학적 성질

Light yellow needles

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Danger

H301+H311+H331 (86.4%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.