基本情報
- 標準SMILES
Cc1ccc2cccnc2c1- InChIKey
KDYVCOSVYOSHOL-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
7-methylquinoline appears as clear yellow liquid or oil. (NTP, 1992)
名称と識別子
- 優先名称
- 7-Methylquinoline
- IUPAC
- 7-methylquinoline
- 現地名
- 7-メチルキノリン
- 英語名
- 7-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
612-60-2- PubChem CID
- 11927
- DTXSID
DTXSID5025657- ChEMBL
CHEMBL1322524- UNII
- EOW995K43C
- EC Number
- 210-316-2
- Nikkaji
- J842G
物性
構造計算による物性
- XLogP
- 2.5
- 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
7-methylquinoline appears as clear yellow liquid or oil. (NTP, 1992)
Clear yellow liquid; mp = 35-38 deg C; [CAMEO] Viscous liquid; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 35 · 35-37 °C(lit.)
- 沸点
- 258 °C · 258 °C(lit.)
- 比重(密度)
- 1.061 · 1.061
- 屈折率
- 1.607 to · 1.6070 to 1.6210
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Room Temperature
- 溶解性
- クロロホルム(微量)、メタノール(微量)
- 酸解離定数(Pka)
- 5.44 · 5.44±0.14(Predicted)
- 外見
- 粘性液体
- 色
- オフホワイトからペールベージュ
- 水溶解度
- 0.1 g/100 · <0.1 g/100 mL で 20 ºC
- BRN
- 110317 · 110317
- 安定性
- 安定。強酸化剤、強酸とは相容れない。光に敏感な場合があります。
- InChI
- 1S/C10H9N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-7H,1H3
- InChIKey
- KDYVCOSVYOSHOL-UHFFFAOYSA-N
- SMILES
- Cc1ccc2cccnc2c1
- CAS データベース
- 612 · 612-60-2(CAS DataBase Reference)
- NISTの化学物質情報
- 7 · Quinoline, 7-methyl-(612-60-2)
- EPAの化学物質情報
- 7 · 7-Methylquinoline (612-60-2)
化学的性質
化学的特性white to light yellow crystal powder
安全と法規制
GHS分類
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 45 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
Reactivity Profile
7-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
- VC0560000
- hs_code
- 29334900
- risk_code
- 37/38-41
- 化審法
- (5)-796
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
応用分野
使用7-methylquinoline has been bioassayed as tumor initiator on the skin of Sencar mice.
一般的な説明7-Methylquinoline is a reagent used in the preparation of diarylmethylpiperazines as potent opioid receptor agonists with improved side effects. Also used in the preparation of novel pyrazine compounds derived from 2-phenylquinolin-7-yl which act as potent insulin-like growth factor-I receptor inhibitors.
調製方法
純化方法Purify it via its dichromate complex (m 149o, after five recrystallisations from water). [Cumper et al. J Chem Soc 1176 1962, Beilstein 20 III/IV 3497, 20/7 V 402.]
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