CAS 688363-73-7 8-Bromo-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one (HCID 21873511)

基本情報

CAS: 688363-73-7
標準SMILES: CC1(C)Oc2c(Br)cccc2NC1=O
InChIKey: ZYPVSNYNICRCNG-UHFFFAOYSA-N
分子式: C10H10BrNO2
平均分子量: 256.1 g/mol
単同位体質量: 254.98949066

名称と識別子

優先名称: 8-Bromo-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one
IUPAC: 8-bromo-2,2-dimethyl-4H-1,4-benzoxazin-3-one
英語名: 8-Bromo-2,2-dimethyl-4H-benzo[1,4]oxazin-3-one
分子式: C10H10BrNO2
分子量: 256.1

名称と別名

688363-73-7DTXSID706191838-Bromo-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-oneRefChem:311807DTXCID705699378-Bromo-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one8-BROMO-2,2-DIMETHYL-4H-BENZO[1,4]OXAZIN-3-ONE8-bromo-2,2-dimethyl-4H-1,4-benzoxazin-3-oneMFCD092612638-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-oneSCHEMBL4483899SCHEMBL30659408

名称をさらに表示

ZYPVSNYNICRCNG-UHFFFAOYSA-NNCB36373AC6628AKOS023498383SY130782EN300-816117F8319722H-1,4-Benzoxazin-3(4H)-one, 8-bromo-2,2-dimethyl-

データベース識別子

CAS: 688363-73-7
PubChem CID: 21873511
DTXSID: DTXSID70619183
EC Number: 992-174-8

物性

構造計算による物性

XLogP: 2.2
極性表面積: 38.3 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: 0
重原子数: 14
形式電荷: 0
複雑度: 255

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.