1,4-Dibromo-2,3-butanedione (HCID 22747)

名称と識別子

優先名称: 1,4-Dibromo-2,3-butanedione
IUPAC: 1,4-dibromobutane-2,3-dione
現地名: 1,4-ジブロモ-2,3-ブタンジオン
英語名: 1,4-Dibromo-2,3-butanedione
分子式: C4H4Br2O2
分子量: 243.88

名称と別名

1,4-Dibromo-2,3-butanedione6305-43-72,3-BUTANEDIONE, 1,4-DIBROMO-1,4-DibromobutanedioneNHZ2FG6JE3NSC-41130NSC-75722DTXSID9064219DBBDRefChem:416709DTXCID6043624228-615-1

名称をさらに表示

1,4-ジブロモ-2,3-ブタンジオン1,4-ジブロモブタン-2,3-ジオンSKL239SYM-DIBROMODIACETYLà,à'-dibromobiacetyl2,2’-dibromobiacetyl1,4-dibromo-3-butanedionealpha,alpha’-dibromobiacetyl

1,4-Dibromobutane-2,3-dione2,2'-Dibromobiacetylalpha,alpha'-DibromobiacetylS 671,4-DibromodiacetylEINECS 228-615-1NSC 41130NSC 75722

データベース識別子

CAS: 6305-43-7
PubChem CID: 22747
DTXSID: DTXSID9064219
ChEBI: CHEBI:188852
UNII: NHZ2FG6JE3
EC Number: 228-615-1
Nikkaji: J42.099I

物性

構造計算による物性

XLogP: 1.2
極性表面積: 34.1 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: 3
重原子数: 8
形式電荷: 0
複雑度: 96

実験および物理化学的性質

Physical DescriptionLight yellow powder; [Aldrich MSDS] Irritating odor; [Alfa Aesar MSDS]

物理化学的性質

融点: 117 · 117-119 °C (lit.)
沸点: 213 · 213.0±25.0 °C(Predicted)
比重(密度): 2.0524 · 2.0524 (rough estimate)
屈折率: 1.522 · 1.5220 (estimate)
貯蔵温度: 2 · Storage temp. 2-8°C
外見: powder
水溶解度: 水に不溶。
BRN: 970154 · 970154
InChI: InChI=1S/C4H4Br2O2/c5-1-3(7)4(8)2-6/h1-2H2
InChIKey: RZMOICJDRADLCT-UHFFFAOYSA-N
SMILES: C(Br)C(=O)C(=O)CBr
CAS データベース: 6305 · 6305-43-7(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2,3-Butanedione, 1,4-dibromo- (6305-43-7)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (90.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.7%): 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 43 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

Hazards Summary · 1 件

Causes acute pulmonary edema and diffuse hepatitis in intravenous lethal-dose studies of dogs; [RTECS] A skin and strong eye irritant; [Aldrich MSDS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (90.7%)；Eye Irrit. 2 (90.7%)；STOT SE 3 (90.7%)

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.；Dermatotoxin - Skin burns.