CAS 18529-09-4 4-Chloro-2-methyl-7-(trifluoromethyl)quinoline (HCID 4736805)

基本情報

CAS: 18529-09-4
標準SMILES: Cc1cc(Cl)c2ccc(C(F)(F)F)cc2n1
InChIKey: KQXIMYKBHAMAAM-UHFFFAOYSA-N
分子式: C11H7ClF3N
平均分子量: 245.63 g/mol
単同位体質量: 245.0219114

名称と識別子

優先名称: 4-Chloro-2-methyl-7-(trifluoromethyl)quinoline
IUPAC: 4-chloro-2-methyl-7-(trifluoromethyl)quinoline
現地名: 4クロロ2メチル7トリフルオロメチルキノリン
英語名: 4-Chloro-2-methyl-7-(trifluoromethyl)quinoline
分子式: C11H7ClF3N
分子量: 245.63

名称と別名

4-chloro-2-methyl-7-(trifluoromethyl)quinoline18529-09-4DTXSID00406083RefChem:291534DTXCID20356935MFCD002723344-Chloro-7-(trifluoromethyl)quinaldineSCHEMBL900362SBB038259AKOS000268307AB05609BS-35961

名称をさらに表示

4クロロ2メチル7トリフルオロメチルキノリン4-クロロ-2-メチル-7-(トリフルオロメチル)キノリンAKOS BBS-000003624-CHLORO-7-TRIFLUOROMETHYLQUINALDINEQuinoline, 4-chloro-2-methyl-7-(trifluoromethyl)-

SY227047DB-044558ST501603152-Methyl-4-chloro-7-(trifluoromethyl)quinolineG837154-Chloro-2-Methyl-7-(Trifluoromethyl)-QuinolineF3127884-Chloro-2-methyl-7-(trifluoromethyl)quinoline, AldrichCPR

データベース識別子

CAS: 18529-09-4
PubChem CID: 4736805
DTXSID: DTXSID00406083
EC Number: 681-560-9

物性

構造計算による物性

XLogP: 4.1
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: 4
回転可能結合数: 0
重原子数: 16
形式電荷: 0
複雑度: 256

物理化学的性質

外見: solid
InChI: 1S/C11H7ClF3N/c1-6-4-9(12)8-3-2-7(11(13,14)15)5-10(8)16-6/h2-5H,1H3
InChIKey: KQXIMYKBHAMAAM-UHFFFAOYSA-N
SMILES: Cc1cc(Cl)c2ccc(cc2n1)C(F)(F)F
CAS データベース: 18529 · 18529-09-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (90.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

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 43 reports by companies from 2 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. 3 (90.7%)；Eye Dam. 1 (90.7%)

安全データ

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933499090
risk_code: 25-41
hazard_code: T
safety_code: 26-39-45
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

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化合物ノート

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