Benzofuroxan (HCID 68075)

名称と識別子

優先名称: Benzofuroxan
IUPAC: 3-oxido-2,1,3-benzoxadiazol-3-ium
現地名: ベンゾフロキサン
英語名: Benzofuroxan
分子式: C6H4N2O2
分子量: 136.11

名称と別名

Benzofuroxan480-96-6BenzofuroxaneBenzofurazan 1-oxideBenzofurazan oxide2,1,3-Benzoxadiazole, 1-oxideBenzofurazan N-oxideNSC-1993034FFO6Y520RefChem:565234DTXCID2040600DTXSID5060063

名称をさらに表示

ベンゾフロキサン2,1,3-ベンゾオキサジアゾール1-オキシドベンゾフラザン1-オキシドベンゾフロキサン, 98%KIH-403AKOS 93854enzofurxanBenzofuzanBenzofuroximeBenzofuroxan,99%

207-559-12,1,3-Benzoxadiazole 1-oxide3-oxido-2,1,3-benzoxadiazol-3-ium2,1,3-benzoxadiazol-1-ium-1-olateBenzofurazan, 1-oxideBENZO[C][1,2,5]OXADIAZOLE 1-OXIDEMFCD00005807benzo[c]1,2,5-oxadiazol-1-ol

データベース識別子

CAS: 480-96-6
PubChem CID: 68075
DTXSID: DTXSID5060063
ChEMBL: CHEMBL2413971
UNII: 34FFO6Y520
EC Number: 207-559-1
Nikkaji: J12.992E

物性

構造計算による物性

XLogP: 1.4
極性表面積: 51.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 131

物理化学的性質

融点: 66 · 66-69 °C
沸点: 250.35 °C · 250.35°C (rough estimate)
比重(密度): 1.4175 · 1.4175 (rough estimate)
蒸気圧: 5.8 Pa · 5.8Pa at 25℃
屈折率: 1.4738 · 1.4738 (estimate)
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: アセトン（微量）、クロロホルム（微量）、DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 4.58 · 4.58±0.46(Predicted)
色: 黄色
水溶解度: メタノールに可溶。水に不溶。
BRN: 125112 · 125112
LogP: 1.43 · 1.43
CAS データベース: 480 · 480-96-6(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzofurazan, 1-oxide(480-96-6)
EPAの化学物質情報: 2 · 2,1,3-Benzoxadiazole, 1-oxide (480-96-6)

化学的性質

化学的特性mustard colored powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 8.5% (4 of 47) of reports.

Warning

H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.2%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 47 reports by companies.；There are 6 notifications provided by 43 of 47 reports by companies with hazard statement code(s).；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

Regulatory InformationStatus: Active Update: 10-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22876

Hazard Classes and CategoriesSkin Irrit. 2 (91.5%)；Eye Irrit. 2 (91.5%)；STOT SE 3 (87.2%)

法規制情報

Regulatory InformationStatus: Active Update: 10-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22876

安全データ

tsca: TSCA listed
hs_code: 29322090
risk_code: 36/37/38
化審法: (5)-599
hazard_code: Xi
safety_code: 24/25-36-26

化学と産業

用途と製造

General Manufacturing Information2,1,3-Benzoxadiazole, 1-oxide: ACTIVE

応用分野

使用Benzofuroxan is used as an oxidant for the preparation of 2-arylsubstituted benzimidazoles, quinoxalines and 1,4-bis(alkylamino)-9,10-anthracenediones. It is also sued in the synthesis of 1,2-dinitrosobenzene.