3-(Bromomethyl)-1,2-dihydroquinoxalin-2-one

HCID 286254CAS 62235-61-4

基本情報

標準SMILES: O=c1[nH]c2ccccc2nc1CBr
InChIKey: SOTAKCFOTFCVSS-UHFFFAOYSA-N
分子式: C9H7BrN2O
平均分子量: 239.07 g/mol
単同位体質量: 237.97417494

名称と識別子

優先名称: 3-(Bromomethyl)-1,2-dihydroquinoxalin-2-one
IUPAC: 3-(bromomethyl)-1H-quinoxalin-2-one
英語名: 3-(BROMOMETHYL)QUINOXALIN-2(1H)-ONE
分子式: C9H7BrN2O
分子量: 239.07

名称と別名

3-(bromomethyl)-1,2-dihydroquinoxalin-2-oneRefChem:494360624-084-962235-61-43-Bromomethylquinoxalin-2-one3-(Bromomethyl)-2-quinoxalinol3-(bromomethyl)-1H-quinoxalin-2-one3-(bromomethyl)quinoxalin-2-olNSC144168NSC 1441682(1H)-Quinoxalinone, 3-(bromomethyl)-3-(bromomethyl)hydroquinoxalin-2-one

名称をさらに表示

3-Bromomethyl-1H-quinoxalin-2-one3-Bromomethyl-2(1H)-quinoxalinone3-(BROMOMETHYL)QUINOXALIN-2(1H)-ONE3-(Bromomethyl)quinoxalin-2(1H)-one97%3-(Bromo methyl ) Quinoxiline (1 H) - one

3-(Bromomethyl)quinoxaline-2(1H)-oneSCHEMBL681084SCHEMBL1161820CHEMBL1973412DTXSID702112873-bromo methyl-2(1H)quinoxalinoneSBB0549763-(bromomethyl)-2(1h)-quinoxalinone

データベース識別子

CAS: 62235-61-4
PubChem CID: 286254
DTXSID: DTXSID70211287
ChEMBL: CHEMBL1973412
EC Number: 624-084-9
Nikkaji: J721.658K

物性

構造計算による物性

XLogP: 1.5
極性表面積: 41.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 252

物理化学的性質

融点: 202 °C · 202 °C (dec.)(lit.)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
CAS データベース: 62235 · 62235-61-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (11.4%)

安全データ

wgk: 3
ridadr: UN1759
hs_code: 2933998090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: 8
packing_group: III

化学と産業

応用分野

使用3-(Bromomethyl)Quinoxalin-2(1h)-One is used in preparation of benzoxazinone derivatives as GlyT1 inhibitors useful in the treatment of GlyT1 mediated disorders.

サプライヤー42 社

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

Aladdin Scientific[email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]