基本情報
- CAS
884010-25-7- 標準SMILES
OB(O)c1cc2cc(Br)ccc2s1- InChIKey
RUQKSUMPFAJLNQ-UHFFFAOYSA-N- 分子式
- C8H6BBrO2S
- 平均分子量
- 256.92 g/mol
- 単同位体質量
- 255.93649
名称と識別子
- 優先名称
- 5-Bromobenzo(b)thiophene-2-boronic acid
- IUPAC
- (5-bromo-1-benzothiophen-2-yl)boronic acid
- 英語名
- 5-Bromobenzo[b]thiophene-2-boronic acid
- 分子式
- C8H6BBrO2S
- 分子量
- 256.91
名称と別名
5-BROMOBENZO[B]THIOPHENE-2-BORONIC ACID5-Bromobenzo(b)thiophene-2-boronic acidRefChem:534037801-181-6884010-25-7(5-Bromobenzo[b]thiophen-2-yl)boronic acid(5-bromo-1-benzothiophen-2-yl)boronic acidMFCD06801728CHEMBL397522(5-Bromobenzo[b]thiophen-2-yl)boronicacidSCHEMBL1901107DTXSID20629631
名称をさらに表示
AKOS BRN-06402-Borono-5-bromobenzo[b]thiophene(5-BROMO-1-BENZOTHIEN-2-YL)BORONIC ACIDBoronic acid, B-(5-bromobenzo[b]thien-2-yl)-5-BROMOBENZO[B]THIOPHENE-2-BORONIC ACID ISO 9001：2015 REACH2-Borono-5-bromobenzo[b]thiophene, 5-Bromo-1-benzothiophene-2-boronic acid
RUQKSUMPFAJLNQ-UHFFFAOYSA-NBDBM50225376AKOS004113985AB30186(5-bromobenzothiophen-2-yl)boronic acidAS-432385-bromobenzeno[B]thiophene-2-boronic acidCS-0110021
データベース識別子
- CAS
884010-25-7- PubChem CID
- 23005355
- DTXSID
DTXSID20629631- ChEMBL
CHEMBL397522- EC Number
- 801-181-6
- Nikkaji
- J3.301.127J
物性
構造計算による物性
- 極性表面積
- 68.7 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 193
物理化学的性質
- 沸点
- 442.6 · 442.6±48.0 °C(Predicted)
- 比重(密度)
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- 6.61 · 6.61±0.30(Predicted)
- 外見
- solid
- 色
- white
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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 (66.7%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)
安全データ
- hs_code
- 2934999090
- risk_code
- 22
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
化学と産業
サプライヤー23 社
上海埃逸科技有限公司13916181326 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
安徽合诺生物科技有限公司18455579438
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海弘敏医药科技有限公司13651987816 · [email protected]
Zjartspharm Co., Ltd
関連反応
2 件
化合物ノート
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