基本情報
- 標準SMILES
Cc1cccc2cccnc12- InChIKey
JRLTTZUODKEYDH-UHFFFAOYSA-N- 分子式
- C10H9N
- 平均分子量
- 143.18 g/mol
- 単同位体質量
- 143.07349929
概要
8-methylquinoline appears as yellow liquid or oil. (NTP, 1992)
名称と識別子
- 優先名称
- 8-Methylquinoline
- IUPAC
- 8-methylquinoline
- 現地名
- 8-メチルキノリン
- 英語名
- 8-Methylquinoline
- 分子式
- C10H9N
- 分子量
- 143.19
名称と別名
名称をさらに表示
データベース識別子
- CAS
611-32-5- PubChem CID
- 11910
- DTXSID
DTXSID8020888- ChEMBL
CHEMBL1702610- ChEBI
CHEBI:48984- UNII
- K97B12J636
- EC Number
- 210-264-0
- Nikkaji
- J841I
物性
構造計算による物性
- XLogP
- 2.6
- 極性表面積
- 12.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 133
実験および物理化学的性質
Physical Description
8-methylquinoline appears as yellow liquid or oil. (NTP, 1992)
Liquid
物理化学的性質
- 融点
- -80 °C · -80 °C
- 沸点
- 245 °C · 245 °C
- 比重(密度)
- 1.052 g/mL · 1.052 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.614(lit.)
- 闪点
- 221 °F · 221 °F
- 貯蔵温度
- Room Temperature
- 溶解性
- クロロホルム、メタノール
- 酸解離定数(Pka)
- 5.03 · 5.03±0.17(Predicted)
- 外見
- 液体
- 色
- クリアイエロー
- 比重
- 1.052 · 1.052
- 水溶解度
- 17 ℃で0.1~0.5g/100mL · 17℃で0.1~0.5g/100mL
- BRN
- 111340 · 111340
- InChI
- 1S/C10H9N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2-7H,1H3
- InChIKey
- JRLTTZUODKEYDH-UHFFFAOYSA-N
- SMILES
- Cc1cccc2cccnc12
- CAS データベース
- 611 · 611-32-5(CAS DataBase Reference)
- NISTの化学物質情報
- 8 · Quinoline, 8-methyl-(611-32-5)
- EPAの化学物質情報
- 8 · 8-Methylquinoline (611-32-5)
化学的性質
化学的特性clear yellow liquid
安全と法規制
GHS分類
GHS Classification
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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Quinoline, 8-methyl-
Quinoline, 8-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Quinoline, 8-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Reactivity Profile
8-METHYLQUINOLINE may be sensitive to exposure to light. May react vigorously with strong oxidizing agents and strong acids (NTP, 1992). Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VC0562000
- hs_code
- 29334900
- risk_code
- 36/37/38-68-22
- 化審法
- (5)-796
- 消防法
- 危-4-3-III
- hazard_code
- Xi,Xn
- safety_code
- 26-36-45-36/37/39
- hazard_class
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Quinoline, 8-methyl-: ACTIVE
応用分野
使用8-Methylquinoline has been used in preparation of osmium chloridophosphine complexes, as quinoline carbene tautomers.Tumorigenic potential of 8-methylquinoline has been evaluated in newborn CD-1 mice and Sprague-Dawley rats.
一般的な説明Yellow liquid or oil.
調製方法
純化方法Purify it as for 2-methylquinoline. The phosphate and picrate have m 158o and m 201o, respectively. [Beilstein 20 III/IV 3500, 20/7 V 405.]
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
補足説明
定義ChEBI: A methylquinoline carrying a methyl substituent at position 8.
関連反応
関連ノート
読み込み中…