4,6-Diaminoresorcinol Dihydrochloride

HCID 2733648

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 16523-31-2
標準SMILES: Cl.Cl.Nc1cc(N)c(O)cc1O
InChIKey: KUMOYHHELWKOCB-UHFFFAOYSA-N
分子式: C6H10Cl2N2O2
平均分子量: 213.06 g/mol
単同位体質量: 212.01193292

名称と識別子

優先名称: 4,6-Diaminoresorcinol Dihydrochloride
IUPAC: 4,6-diaminobenzene-1,3-diol;dihydrochloride

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性補完中

極性表面積: 92.5 Å²
水素結合供与体数: 6
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 108

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amino Phenols

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

安全と法規制

GHS分類

GHS Classification · 4 件

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.