基本信息
- 标准SMILES
CCn1cc[n+](C)c1.[Cl-]- InChIKey
BMQZYMYBQZGEEY-UHFFFAOYSA-M- 分子式
- C6H11ClN2
- 平均分子量
- 146.62 g/mol
- 单同位素质量
- 146.06107603
概述
1-ethyl-3-methylimidazolium chloride is an organic chloride salt in which the cationic component is 1-ethyl-3-methylimidazolium. It is an organic chloride salt and an ionic liquid. It contains a 1-ethyl-3-methylimidazolium.
名称与标识
- 首选名称
- 1-Ethyl-3-methylimidazolium chloride
- IUPAC
- 1-ethyl-3-methylimidazol-3-ium chloride
- 中文名
- 氯化 1-乙基-3-甲基咪唑
- 英文名
- 1-Ethyl-3-methylimidazolium chloride
- 分子式
- C6H11ClN2
- 分子量
- 146.62
名称与别名
展开更多名称
数据库标识
- CAS
65039-09-0- PubChem CID
- 2734160
- DTXSID
DTXSID1041180- ChEMBL
CHEMBL3184109- ChEBI
CHEBI:61327- UNII
- PH90AQ1E93
- EC Number
- 613-739-4
性质
结构计算性质
- 极性表面积
- 8.8 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 72.9
物理化学性质
- 熔点
- 77 · 77-79 °C(lit.)
- 密度
- 1.435 g/cm3 · 1.435 g/cm3
- 蒸气压
- 0 Pa · 0Pa at 20-50℃
- 闪点
- 186 °C · 186 °C
- 储存条件
- 30 °C · Store below +30°C.
- 形态
- Agglomerating Crystalline Powder
- 颜色
- Pale yellow
- 水溶解性
- Soluble in water.
- 敏感性
- Hygroscopic
- BRN
- 5163190 · 5163190
- 稳定性
- Stable. Very hygroscopic. Incompatible with strong oxidizing agents.
- InChI
- 1S/C6H11N2.ClH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1
- InChIKey
- BMQZYMYBQZGEEY-UHFFFAOYSA-M
- SMILES
- [Cl-].CCn1cc[n+](C)c1
- LogP
- -2.6 at · -2.6 at 23℃ and pH6.6
- CAS 数据库
- 65039 · 65039-09-0(CAS DataBase Reference)
- EPA化学物质信息
- 1 H-Imidazolium, · 1H-Imidazolium, 3-ethyl-1-methyl-, chloride (1:1) (65039-09-0)
安全与法规
GHS分类
GHS Classification
Warning
H302 (70.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 155 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危害信息
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 13-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16488
安全数据
- F
- 3-10
- wgk
- 2
- tsca
- TSCA listed
- 存储类别
- 11 - Combustible Solids
- 安全说明
- 26-57-45-37/39-29
- 海关编码
- 2933 29 90
- 危险品标志
- Xi,N,T
- 危险性类别
- Acute Tox. 4 OralEye Irrit. 2
- 危险类别码
- 36/38-51/53-36/37/38-25
- 危险品运输编号
- 2811
化学与工业
用途与制造
应用领域
用途用于离子液体
上下游产品信息
下游产品
试剂价格
- E0490 · 5G
- 1-乙基-3-甲基氯化咪唑[用于熔盐]1-Ethyl-3-methylimidazolium Chloride [for Molten Salt] — 230元
- E0490 · 25G
- 1-乙基-3-甲基氯化咪唑[用于熔盐]1-Ethyl-3-methylimidazolium Chloride [for Molten Salt] — 750元
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