4-Bromobenzohydrazide (HCID 22219)

名称と識別子

優先名称: 4-Bromobenzohydrazide
IUPAC: 4-bromobenzohydrazide
現地名: ４-ブロモベンゾヒドラジド
英語名: 4-Bromobenzhydrazide
分子式: C7H7BrN2O
分子量: 215.05

名称と別名

4-BromobenzohydrazideUYIMBYKIIMYFPS-UHFFFAOYSA-RefChem:520466227-681-9InChI=1/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)5933-32-44-Bromobenzhydrazide4-Bromobenzoic hydrazidep-Bromobenzhydrazide4-Bromobenzoic acid hydrazidep-Bromobenzoic acid hydrazideBenzoic acid, 4-bromo-, hydrazide

名称をさらに表示

４-ブロモベンゾヒドラジド4-ブロモベンゾヒドラジド臭化物4-ブロモベンゾイルヒドラジン4-ブロモ安息香酸ヒドラジド4-ブロモベンズヒドラジドP-ブロモベンゾヒドラジドp-ブロモ安息香酸ヒドラジドP-BROMOBENZOYLHYDRAZINE4-Bromobenzohydrazide >4-Bromobenzhydrazide, 98+%p-bromo-benzoicacihydrazide

4-BromobenzoylhydrazineMFCD00007602BENZOIC ACID, p-BROMO-, HYDRAZIDE4-bromobenzenecarbohydrazidep-BromobenzohydrazideNSC60114NSC-60114(p-Bromobenzoyl)hydrazine

データベース識別子

CAS: 5933-32-4
PubChem CID: 22219
DTXSID: DTXSID80208062
ChEMBL: CHEMBL124433
UNII: ZB65YY5L9G
EC Number: 227-681-9
Nikkaji: J41.209K

物性

構造計算による物性

XLogP: 1.3
極性表面積: 55.1 Å²
水素結合供与体数: 2
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: 143

物理化学的性質

融点: 167 · 167-169°C
比重(密度): 1.615 · 1.615±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 粉
酸解離定数(Pka): 12.09 · 12.09±0.10(Predicted)
色: ライトベージュ
水溶解度: 熱メタノールに可溶（ほぼ透明）。水にわずかに溶ける。
BRN: 777006 · 777006
InChI: InChI=1S/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey: UYIMBYKIIMYFPS-UHFFFAOYSA-N
SMILES: C(NN)(=O)C1=CC=C(Br)C=C1
CAS データベース: 5933 · 5933-32-4(CAS DataBase Reference)

化学的性質

化学的特性Light beige powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): 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 46 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 CategoriesSkin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (95.7%)

安全データ

wgk: 3
rtecs: DG4449250
hs_code: 29280000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用4-Bromobenzoic hydrazide has been used in the preparation of {2-[1-oxo-3-(4-bromophenyl)-2-propenyl]hydrazide}-4-bromobenzoic acid, {2,2-[1,4-phenylenebis(1-oxo-2-propene-3,1-diyl)]dihydrazide}-p-bromobenzoic acid and substituted period[1,2-a]pyrimidine-2,4(3H)-diones (PPMDO).