8-Quinolinol, 5-(chloromethyl)-, hydrochloride (1:1)

HCID 12269596CAS 4053-45-6

기본 정보

표준 SMILES: Cl.Oc1ccc(CCl)c2cccnc12
InChIKey: BDQGTRWOFVSOQX-UHFFFAOYSA-N
분자식: C10H9Cl2NO
평균 분자량: 230.09 g/mol
단동위원소 질량: 229.00611927

이름 및 식별자

우선 이름: 8-Quinolinol, 5-(chloromethyl)-, hydrochloride (1:1)
IUPAC: 5-(chloromethyl)quinolin-8-ol;hydrochloride

이름 및 동의어

5-(chloromethyl)quinolin-8-ol hydrochlorideDTXSID808840278-Quinolinol, 5-(chloromethyl)-, hydrochloride (1:1)NSC 83066RefChem:548409DTXCID401023500866-003-15-(Chloromethyl)-8-quinolinol4053-45-65-(CHLOROMETHYL)-8-QUINOLINOL HYDROCHLORIDEMFCD017905145-(chloromethyl)quinolin-8-ol;hydrochloride

이름 더 보기

5-(chloromethyl)quinolin-8-ol hcl5-chloromethyl-8-hydroxyquinoline hydrochlorideNSC830665-(Chloromethyl)-8-hydroxyquinoline hydrochlorideSCHEMBL143943CHEMBL4583195SCHEMBL31286548NSC-83066

데이터베이스 식별자

CAS: 4053-45-6
PubChem CID: 12269596
DTXSID: DTXSID80884027
ChEMBL: CHEMBL4583195
EC Number: 866-003-1

물성

구조 계산 물성

극성 표면적: 33.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 176

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.