1-アミノ-2-メチル-4-ブロモ-9,10-アントラキノン

1-Amino-4-bromo-2-methylanthraquinone

HCID 66480CAS 81-50-5

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1C2=O
InChIKey: VIQMJMDPUIBXQO-UHFFFAOYSA-N
分子式: C15H10BrNO2
平均分子量: 316.15 g/mol
単同位体質量: 314.98949

名称と識別子

優先名称: 1-Amino-4-bromo-2-methylanthraquinone
IUPAC: 1-amino-4-bromo-2-methylanthracene-9,10-dione
現地名: 1-アミノ-2-メチル-4-ブロモ-9,10-アントラキノン
英語名: 1-AMINO-4-BROMO-2-METHYLANTHRAQUINONE
分子式: C15H10BrNO2
分子量: 316.15

名称と別名

1-Amino-4-bromo-2-methylanthraquinone1-Amino-2-methyl-4-bromoanthraquinoneAnthraquinone, 1-amino-4-bromo-2-methyl-9,10-Anthracenedione, 1-amino-4-bromo-2-methyl-K495LUA00REINECS 201-355-61-Amino-4-bromo-2-methyl-9,10-anthracenedioneNSC 401160NSC-4011604-Bromo-2-methyl-1-anthraquinonylamineDTXSID10588481-Amino-3-bromo-2-methyl-9,10-anthraquinone

名称をさらに表示

1-アミノ-4-ブロモ-2-メチル-9,10-アントラセンジオン1-アミノ-2-メチル-4-ブロモ-9,10-アントラキノン1-アミノ-4-ブロモ-2-メチルアントラキノンTIMTEC-BB SBB002955LABOTEST-BB LT000125771-Amino-4-bromo-2-methylanthraquinon1-Amino-4-bromo-2-methylanthraquinone,95%1-Amino-4-bromo-2-methylanthra-9,10-quinone1-amino-4-bromo-2-methyl-10-anthracenedione1-AMINO-4-BROMO-2-METHYLANTHRAQUINONE, 9 9%

1-AMINO-2-METHYL-4-BROMO-9,10-ANTHRAQUINONERefChem:429337DTXCID4048195201-355-681-50-51-amino-4-bromo-2-methylanthracene-9,10-dione1-amino-4-bromo-2-methyl-9,10-dihydroanthracene-9,10-dioneMFCD00001221

データベース識別子

CAS: 81-50-5
PubChem CID: 66480
DTXSID: DTXSID1058848
UNII: K495LUA00R
EC Number: 201-355-6
Nikkaji: J192.587C

物性

構造計算による物性

XLogP: 3.8
極性表面積: 60.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 19
形式電荷: 0
複雑度: 411

物理化学的性質

融点: 245 °C · 245 °C (dec.)(lit.)
外見: solid
EPAの化学物質情報: 9 · 9,10-Anthracenedione, 1-amino-4-bromo-2-methyl- (81-50-5)

化学的性質

化学的特性orange to red crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 41 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39

化学と産業

用途と製造

General Manufacturing Information9,10-Anthracenedione, 1-amino-4-bromo-2-methyl-: INACTIVE

応用分野 · 1 件

使用1-Amino-4-bromo-2-methylanthraquinone has been used in the synthesis of 4-substituted 1-amino-2-methylanthraquinone derivatives:1-amino-2-methyl-4-phenylaminoanthraquinone1-amino-2-methyl-4-(3-methylphenylamino)anthraquinone1-amino-2-methyl-4-(4-methylphenylamino)anthraquinone1-amino-2-methyl-4-(1-naphthylamino)anthraquinone