CAS 86-90-8 4-Bromophthalic anhydride (HCID 66590)

基本情報

CAS: 86-90-8
標準SMILES: O=C1OC(=O)c2cc(Br)ccc21
InChIKey: BCKVHOUUJMYIAN-UHFFFAOYSA-N
分子式: C8H3BrO3
平均分子量: 227.01 g/mol
単同位体質量: 225.92656

名称と識別子

優先名称: 4-Bromophthalic anhydride
IUPAC: 5-bromo-2-benzofuran-1,3-dione
現地名: 4-ブロモフタル酸無水物
英語名: 4-Bromo phthalic anhydrus
分子式: C8H3BrO3
分子量: 227.01

名称と別名

4-Bromophthalic anhydride86-90-85-bromoisobenzofuran-1,3-dione4-Bromo Phthalic anhydride2D7E8SD3ZF5-BROMO-ISOBENZOFURAN-1,3-DIONEEINECS 201-707-9DTXSID70235342RefChem:520543DTXCID70157833201-707-95-Bromo-2-benzofuran-1,3-dione

名称をさらに表示

4-ブロモフタル酸無水物5-ブロモイソベンゾフラン-1,3-ジオン4-ブロモ-1,2-ベンゼンジカルボン酸無水物5-ブロモフタル酸無水物5-ブロモ-1,3-イソベンゾフランジオン4-ブロモ無水フタル酸臭化物4-ブロモ無水フタル酸5-ブロモ-1,3-ジヒドロイソベンゾフラン-1,3-ジオン5-ブロモ-1,3-ジヒドロ-2-ベンゾフラン-1,3-ジオン4-BPA4-BrPATIMTEC-BB SBB0085344-Bromophthal Anhydride4-Bromophtalic Anhydride5-Bromo-2-Benzofuran-1,3

5-bromo-1,3-dihydro-2-benzofuran-1,3-dione1,3-Isobenzofurandione, 5-bromo-MFCD001913234-Bromophthalicanhydride5-bromophthalic anhydride4-Bromo-phthalic anhydride4-BROMOPHTHALIC ACID ANHYDRIDE5-BROMO-1,3-ISOBENZOFURANDIONE

データベース識別子

CAS: 86-90-8
PubChem CID: 66590
DTXSID: DTXSID70235342
UNII: 2D7E8SD3ZF
EC Number: 201-707-9
Nikkaji: J141.261B

物性

構造計算による物性

XLogP: 2
極性表面積: 43.4 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: 12
形式電荷: 0
複雑度: 238

物理化学的性質

融点: 107 °C · 107 °C
沸点: 301 °C · 301 °C
比重(密度): 1.911 · 1.911
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: very soluble in Benzene
外見: powder to crystal
色: White to Almost white
InChI: InChI=1S/C8H3BrO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
InChIKey: BCKVHOUUJMYIAN-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(Br)C=C2)C(=O)O1
CAS データベース: 86 · 86-90-8(CAS DataBase Reference)

化学的性質

化学的特性off-white to white powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (16.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 6 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 (66.7%)；Skin Sens. 1 (33.3%)；Eye Dam. 1 (16.7%)；Eye Irrit. 2 (83.3%)；Resp. Sens. 1 (16.7%)；STOT SE 3 (66.7%)