4-クロロ-6-メチルキノリン

4-Chloro-6-methylquinoline

HCID 824624

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 18436-71-0
標準SMILES: Cc1ccc2nccc(Cl)c2c1
InChIKey: HZWWPOQFLMUYOX-UHFFFAOYSA-N
分子式: C10H8ClN
平均分子量: 177.63 g/mol
単同位体質量: 177.034527

名称と識別子

優先名称: 4-Chloro-6-methylquinoline
IUPAC: 4-chloro-6-methylquinoline
現地名: 4-クロロ-6-メチルキノリン
英語名: 4-Chloro-6-methylquinoline
分子式: C10H8ClN
分子量: 177.63

名称と別名

4-chloro-6-methylquinoline18436-71-0DTXSID40356457RefChem:98497DTXCID50307516803-344-74-Chloro-6-methyl-quinolineQuinoline, 4-chloro-6-methyl-MFCD02684204SCHEMBL4758609SCHEMBL7499815SCHEMBL27590619

名称をさらに表示

4クロロ6メチルキノリン4-クロロ-6-メチルキノリン4-クロロ-6-メチルキノリン, 97%4-Chloro-6-methylquinoline >4-chloro-6-methylquinoline - [C71820]4-Chloro-6-methylquinoline ISO 9001：2015 REACH

HZWWPOQFLMUYOX-UHFFFAOYSA-NSTL137805AKOS002683714AB12588AC-70944-Chloro-6-methylquinoline, AldrichCPRAS-58836SY051237

データベース識別子

CAS: 18436-71-0
PubChem CID: 824624
DTXSID: DTXSID40356457
EC Number: 803-344-7

物性

構造計算による物性

XLogP: 3.2
極性表面積: 12.9 Å²
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: 12
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 51 to · 51.0 to 55.0 °C
沸点: 140 °C/10mmHg · 140°C/10mmHg(lit.)
比重(密度): 1.225 · 1.225±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: powder to crystal
酸解離定数(Pka): 3.79 · 3.79±0.16(Predicted)
色: Light orange to Yellow to Green
InChI: InChI=1S/C10H8ClN/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
InChIKey: HZWWPOQFLMUYOX-UHFFFAOYSA-N
SMILES: N1C2C(=CC(C)=CC=2)C(Cl)=CC=1

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (95%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (95%)；STOT SE 3 (97.5%)

安全データ

wgk: 3
hs_code: 2933998090
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用4-Chloro-6-methylquinoline is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.