4,5,6,7-Tetrahydrothieno(3,2-c)pyridinium chloride

HCID 10176342CAS 28783-41-7

基本情報

標準SMILES: Cl.c1cc2c(s1)CCNC2
InChIKey: QMXCTKPNQFJZGK-UHFFFAOYSA-N
分子式: C7H10ClNS
平均分子量: 175.68 g/mol
単同位体質量: 175.022248

名称と識別子

優先名称: 4,5,6,7-Tetrahydrothieno(3,2-c)pyridinium chloride
IUPAC: 4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride

名称と別名

28783-41-74,5,6,7-Tetrahydrothieno(3,2-c)pyridinium chlorideThieno[3,2-c]pyridine, 4,5,6,7-tetrahydro-, hydrochloride (1:1)E0HB70DQ7NTHIENO(3,2-C)PYRIDINE, 4,5,6,7-TETRAHYDRO-, HYDROCHLORIDE (1:1)4,5,6,7-tetrahydrothieno[3,2-c]pyridinium chlorideRefChem:96399249-220-0EC 249-220-0EINECS 249-220-0UNII-E0HB70DQ7N4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride

名称をさらに表示

MFCD058614854,5,6,7-tetrahydrothieno[3,2-c]pyridine hcl4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride4H,5H,6H,7H-thieno[3,2-c]pyridine,hydrochloride4,5,6,7-tetrahydrothieno[3,2-c]pyridinehydrochlorideCS-D01834,5,6,7-tetrahydrothieno(3,2-c)pyridine hydrochloride

データベース識別子

CAS: 28783-41-7
PubChem CID: 10176342
DTXSID: DTXSID40951426
UNII: E0HB70DQ7N
EC Number: 249-220-0

物性

構造計算による物性

極性表面積: 40.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 105

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (78%): 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 41 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.