6-ブロモ-2,2-ジメチル-4-クロマノン

6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one

HCID 14755364

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 99853-21-1
標準SMILES: CC1(C)CC(=O)c2cc(Br)ccc2O1
InChIKey: KMLKUNVLSWKFLA-UHFFFAOYSA-N
分子式: C11H11BrO2
平均分子量: 255.11 g/mol
単同位体質量: 253.99424169

名称と識別子

優先名称: 6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC: 6-bromo-2,2-dimethyl-3H-chromen-4-one
現地名: 6-ブロモ-2,2-ジメチル-4-クロマノン
英語名: 6-broMo-2,2-diMethylchroMan-4-one
分子式: C11H11BrO2
分子量: 255.11

名称と別名

6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-oneRefChem:540627995-625-76-Bromo-2,2-dimethylchroman-4-one99853-21-16-Bromo-2,2-dimethyl-4-chromanone6-bromo-2,2-dimethyl-chroman-4-one6-bromo-2,2-dimethyl-3H-chromen-4-oneMFCD120684346-bromo-2,3-dihydro-2,2-dimethylchromen-4-one6-bromo-2,2-diMethyl-2,3-dihydro-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 6-bromo-2,3-dihydro-2,2-dimethyl-

名称をさらに表示

6-ブロモ-2,2-ジメチル-4-クロマノン6-bromo-2,2-dimethyl-4-dihydrotryptophanorthone6-bromo-2,3-dihydro-2,2-dimethyl-4H-1-Benzopyran-4-one

6-bromo-2,2-dimethyl-2,3-dihydro-4H-chromen-4-oneSCHEMBL1821389DTXSID60563646KMLKUNVLSWKFLA-UHFFFAOYSA-NZDA853212,2-dimethyl-6-bromo-chroman-4-oneAKOS014025488CS-W000684

データベース識別子

CAS: 99853-21-1
PubChem CID: 14755364
DTXSID: DTXSID60563646
EC Number: 995-625-7

物性

構造計算による物性

XLogP: 2.7
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 250

物理化学的性質

融点: 105 · 105-106℃
沸点: 332 ℃ · 332℃
比重(密度): 1.429 · 1.429
闪点: 155 ℃ · 155℃
貯蔵温度: 2 · 2-8°C
外見: solid
InChI: 1S/C11H11BrO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5H,6H2,1-2H3
InChIKey: KMLKUNVLSWKFLA-UHFFFAOYSA-N
SMILES: O=C(C1)C2=CC(Br)=CC=C2OC1(C)C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.