5-ブロモインダゾール

5-bromo-1H-indazole

HCID 761929CAS 53857-57-1

基本情報

標準SMILES
Brc1ccc2[nH]ncc2c1
InChIKey
STVHMYNPQCLUNJ-UHFFFAOYSA-N
分子式
C7H5BrN2
平均分子量
197.03 g/mol
単同位体質量
195.96361026

名称と識別子

優先名称
5-bromo-1H-indazole
IUPAC
5-bromo-1H-indazole
現地名
5-ブロモインダゾール
英語名
5-bromo-1H-indazole
分子式
C7H5BrN2
分子量
197.03

名称と別名

5-bromo-1H-indazole53857-57-1DTXSID50354020RefChem:102081DTXCID60305083626-190-05-Bromoindazole5-Bromo-2H-indazole465529-55-91h-indazole, 5-bromo-MFCD008394935-bromoazaindole
名称をさらに表示
5-ブロモ-1H-インダゾール5-ブロモインダゾール5‐ブロモ‐1H‐インダゾール4-BROMOIMIDAZOLESW-4SWF-45-Bromoindazole-25-Bromoindazole >1H-Indazole, 5-bromo-5-Bromo-1H-indazole 97%5-Bromo-1H-indazole ,98%
5-bromo-azaindole5-bromo-1hindazoleSCHEMBL5562CHEMBL16425cid_761929HMS2497K17BDBM50099398AKOS000320310

データベース識別子

CAS
53857-57-1
PubChem CID
761929
DTXSID
DTXSID50354020
ChEMBL
CHEMBL16425
EC Number
626-190-0
Nikkaji
J1.536.246D

物性

構造計算による物性

XLogP
2.9
極性表面積
28.7 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
0
重原子数
10

物理化学的性質

融点
131 · 131-135 °C(lit.)
沸点
333.8 · 333.8±15.0 °C(Predicted)
比重(密度)
1.77 · 1.770±0.06 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
soluble in Methanol
外見
powder to crystal

化学的性質

化学的特性White to light brown solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (93.6%)

安全データ

wgk
3
rtecs
NI3517450
ridadr
UN 2811 6.1/PG 3
hs_code
29339900
risk_code
25-36/37/38-22-41
hazard_code
T,Xn

化学と産業

応用分野 · 1 件

使用5-bromo-1H-indazole (5-BIA) is an indazole compound that can be used as a raw material in organic synthesis for the preparation of compounds such as 5-Iodo-1H-indazole and 3,5-Dibromo-1H-indazole. 5-BIA and its derivatives (7-BIA) can also be used as a highly effective corrosion inhibitor for copper and the protective ability of 5-BIA is more prominent than that of 7-BIA. 5-BIA and its derivatives (7-BIA) can also be used as highly efficient corrosion inhibitors for copper, and 5-BIA has a more prominent protective ability than 7-BIA. 1.5 mM 5-BIA and 1.5 mM 7-BIA have corrosion inhibition efficiencies (ηE) as high as 97.1 % and 94.0 %, respectively[1].

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関連反応

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