基本情報
- CAS
601-84-3- 標準SMILES
O=C(O)c1c(Br)cccc1Br- InChIKey
HQLOEBRPCVIFCT-UHFFFAOYSA-N- 分子式
- C7H4Br2O2
- 平均分子量
- 279.91 g/mol
- 単同位体質量
- 277.8578
名称と識別子
- 優先名称
- 2,6-Dibromobenzoic acid
- IUPAC
- 2,6-dibromobenzoic acid
- 現地名
- 2,6-ジブロモ安息香酸
- 英語名
- 2,6-DIBROMOBENZOIC ACID
- 分子式
- C7H4Br2O2
- 分子量
- 279.91
名称と別名
2,6-dibromobenzoic acid601-84-3DTXSID40870668RefChem:445340DTXCID40818368835-540-3Benzoic acid, 2,6-dibromo-MFCD00234254AKOS015855835CS-W005569AS-19876SY017641
名称をさらに表示
2,6-ジブロモ安息香酸2,6-Dibromine Benzoic Acids2,6-Dibromobenzoic Acid,>98%
D5485EN300-113231Z12692126952,6-DIBROMOBENZOICACIDFT-06518102,6-dibromobenzoic acid;A832632AC-907/25004608
データベース識別子
- CAS
601-84-3- PubChem CID
- 4400143
- DTXSID
DTXSID40870668- EC Number
- 835-540-3
- Nikkaji
- J95.575B
物性
構造計算による物性
- XLogP
- 3.6
- 極性表面積
- 37.3 Ų
- 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
- 11
- 形式電荷
- 0
- 複雑度
- 151
物理化学的性質
- 融点
- 151 · 151-152℃
- 沸点
- 333.4 · 333.4±32.0 °C(Predicted)
- 比重(密度)
- 1.9661 · 1.9661 (rough estimate)
- 屈折率
- 1.497 · 1.4970 (estimate)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- soluble in Methanol
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 1.5 · 1.50±0.10(Predicted)
- 色
- White to Light yellow
化学的性質
化学的特性Class white powder
安全と法規制
GHS分類
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
Aggregated GHS information provided per 3 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 CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (66.7%)
安全データ
- hs_code
- 2916399090
- 化審法
- (3)-62
化学と産業
応用分野
使用2,6-Dibromobenzoic Acid is a reactant used in the synthesis of a novel inhibitor of amyloid secretion.
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
湖北鑫立恒化工有限公司13164644252
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
関連反応
2 件
化合物ノート
読み込み中…