基本情報
- 標準SMILES
c1ccc2c(c1)ccc1ncccc12- InChIKey
HCAUQPZEWLULFJ-UHFFFAOYSA-N- 分子式
- C13H9N
- 平均分子量
- 179.22 g/mol
- 単同位体質量
- 179.07349929
概要
Benzo[f]quinoline appears as yellow crystals or white powder. Characteristic irritating odor. (NTP, 1992)
名称と識別子
- 優先名称
- Benzo(F)Quinoline
- IUPAC
- benzo[f]quinoline
- 現地名
- ベンゾ[f]キノリン
- 英語名
- 5,6-BENZOQUINOLINE
- 分子式
- C13H9N
- 分子量
- 179.22
名称と別名
名称をさらに表示
データベース識別子
- CAS
85-02-9- PubChem CID
- 6796
- DTXSID
DTXSID2024585- ChEMBL
CHEMBL1565107- UNII
- 525476DTML
- EC Number
- 201-582-0
- Nikkaji
- J4.907G
物性
構造計算による物性
- XLogP
- 3.5
- 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
- 14
- 形式電荷
- 0
- 複雑度
- 201
実験および物理化学的性質
Vapor Pressure
5.5 mmHg at 66 °F (NTP, 1992)
0.000056 [mmHg]
Physical Description
Benzo[f]quinoline appears as yellow crystals or white powder. Characteristic irritating odor. (NTP, 1992)
Solid; [Merck Index] Yellow or white solid with a characteristic irritating odor; [CAMEO]
物理化学的性質
- 融点
- 89 · 89-91 °C
- 沸点
- 349 °C · 349 °C (721 mmHg)
- 比重(密度)
- 1.1255 · 1.1255 (rough estimate)
- 屈折率
- 1.727 · 1.7270 (estimate)
- 闪点
- 166 °C · 166 °C
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 水溶解度
- Insoluble in water
- 外見
- 結晶性
- 酸解離定数(Pka)
- 1 · pK1: 5.00(+1) (25°C)
- 色
- 2 Oまたはペットエーテルからのリーフレット · H2Oまたはペットエーテルからのリーフレット
- Merck
- 14 · 14,1105
- Henry's Law Constant
- 5.7 · 5.7×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- CAS データベース
- 85 · 85-02-9(CAS DataBase Reference)
- EPAの化学物質情報
- Benzo[f]quinoline (85-02-9)
化学的性質
化学的特性BROWN CRYSTALLINE POWDER
安全と法規制
GHS分類
GHS Classification
Danger
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
危険有害性情報
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound include severe local damage to the skin and mucous membranes indicated by discoloration, severe irritation, redness, swelling and the formation of blisters and bumps. It may also cause visual disturbances, eye irritation, conjunctivitis, light-sensitivity, tearing and burning sensations. Chronic exposure may cause necrosis and corneal injury.
Hazards Summary
Causes severe irritation and local injury to skin and mucous membranes; Eye contact may cause severe visual disturbances, lachrymation, conjunctivitis, burning sensation, and corneal injury; [NTP] An irritant that may cause serious eye injury; Toxic by ingestion; [Sigma-Aldrich MSDS] See Quinoline and Naphthalene.
Reactivity Profile
BENZO[F]QUINOLINE 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. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides.
Hazard Classes and Categories
Acute Tox. 3 (97.5%)
Hazardous to the aquatic environment (Acute) - Category 2
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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, 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.
毒性情報
安全データ
- rtecs
- DK1428000
- 毒性
- mma-sat 50 mg/plate 50NNAZ 7,73,83
- hs_code
- 29334990
- risk_code
- 40-36/37/38
- 安衛法
- 変異原性物質
- hazard_code
- Xn
- safety_code
- 45-36/37/39-26
化学と産業
用途と製造
応用分野
用途カドミウムイオンの沈殿定量用試薬
使用As a reagent for the determination of cadmium which is pptd as (C13H9N)2H2(CdI4) from dil nitric or sulfuric acid solution in the presence of potassium iodide.
一般的な説明Yellow crystals or white powder. Characteristic irritating odor.
調製方法
純化方法Purify as 3,4-benzoquinoline above. The picrate has m 258.1-259o (from EtOH or H2O). [Albert et al. J Chem Soc 2240 1948, Beilstein 20 III/IV 4009, 20/8 V 220.]
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