异喹啉(CAS 119-65-3):分子式 C9H7N、分子量 129.16。
| CAS号 | 119-65-3 |
|---|---|
| 分子式 | C9H7N |
| 分子量 | 129.16 |
| 熔点 | 26.47 |
| 沸点 | 243.2 |
| LogP | 2.08 |
异喹啉 是一种化工化合物,登记 CAS 号为 119-65-3,分子式 C9H7N(分子量 129.16)。
登记 CAS 号:119-65-3
其分子式 C9H7N 由 9 个碳、7 个氢、1 个氮 组成。
别名/同义词:异喹啉 · isoquinoline
异喹啉 的 CAS 登记号为 119-65-3。
分子式 C9H7N,分子量 129.16。
别名/同义词:异喹啉、isoquinoline。
异喹啉(CAS 119-65-3)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 119-65-3 |
|---|---|
| PubChem CID | 8405 |
| Molecular formula | C9H7N |
| Molecular weight | 129.06 g/mol |
| IUPAC name | isoquinoline |
| InChIKey | AWJUIBRHMBBTKR-UHFFFAOYSA-N |
| UNII (FDA) | JGX76Y85M6 |
| ChEBI ID | CHEBI:16092 |
| FEMA number | 2978 |
| JECFA number | 1303 |
| Molecular Weight | 129.16 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 129.057849228 |
| Monoisotopic Mass | 129.057849228 |
| Topological Polar Surface Area | 12.9 |
| Heavy Atom Count | 10 |
| Boiling Point | 243.2 |
|---|---|
| Boiling Point | 242.00 to 243.00 °C. @ 760.00 mm Hg |
| Boiling Point | 242-243 °C |
| Melting Point | 26.47 |
| Melting Point | 25.5 - 26 °C |
| Solubility | 4520 |
| Solubility | 4.52 mg/mL at 25 °C |
| Density | 1.097-1.103 |
| LogP | 2.08 |
| Refractive Index | 1.621-1.627 |
ISOQUINOLINE; 119-65-3; 2-Benzazine; 2-Azanaphthalene; Leucoline; beta-Quinoline; Isochinolin; Benzo[c]pyridine; 3,4-Benzopyridine; Benzo(c)pyridine; FEMA No. 2978; DTXSID2047644; JGX76Y85M6; NSC-3395; DTXCID0027644; CHEBI:16092
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 928-JECFA 63/55 |
|---|---|
| GHS notification summary | 0.1% (1 / 1677) |
| GHS notification summary | 0.1% (1 / 1677) |
|---|---|
| Reported hazard statements | H302, H311 (99.6%), H315 (93.4%), H319 (93.4%), H402, H412 |
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1677) of reports.
H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]
isoquinoline is identified by CAS 119-65-3, molecular formula C9H7N and molecular weight 129.06 g/mol. UNII JGX76Y85M6; ChEBI 16092; InChIKey AWJUIBRHMBBTKR-UHFFFAOYSA-N. Boiling Point: 243.2; Boiling Point: 242.00 to 243.00 °C. @ 760.00 mm Hg; Boiling Point: 242-243 °C.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: isoquinoline