4,6-Diaminoresorcinol Dihydrochloride

HCID 2733648CAS 16523-31-2

기본 정보

표준 SMILES: Cl.Cl.Nc1cc(N)c(O)cc1O
InChIKey: KUMOYHHELWKOCB-UHFFFAOYSA-N
분자식: C6H10Cl2N2O2
평균 분자량: 213.06 g/mol
단동위원소 질량: 212.01193292

이름 및 식별자

우선 이름: 4,6-Diaminoresorcinol Dihydrochloride
IUPAC: 4,6-diaminobenzene-1,3-diol;dihydrochloride

이름 및 동의어

16523-31-24,6-Diaminoresorcinol dihydrochloride1,3-Benzenediol, 4,6-diamino-, hydrochloride (1:2)1,3-Benzenediol, 4,6-diamino-, dihydrochlorideDTXSID30884916RefChem:507923DTXCID1010243351,3Benzenediol, 4,6diamino, dihydrochloride1,3Benzenediol, 4,6diamino, hydrochloride (1:2)605-395-94,6-diaminobenzene-1,3-diol Dihydrochloride4,6-diaminobenzene-1,3-diol;dihydrochloride

이름 더 보기

MFCD001432394,6-Diaminoresorcinol 2HCl4,6-diamino resorcinol dihydrochlorideSCHEMBL41565diaminoresorcinol dihydrochloridediamino resorcinol dihydrochloride4,6-diaminoresorcin dihydrochloride4,6-diamino-resorcinol dihydrochloride

데이터베이스 식별자

CAS: 16523-31-2
PubChem CID: 2733648
DTXSID: DTXSID30884916
EC Number: 605-395-9

물성

구조 계산 물성

극성 표면적: 92.5 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 108

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amino Phenols

Physical DescriptionGrey or purple solid; [Sigma-Aldrich MSDS]

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.