CAS 28036-91-1 3,4-Dichlorobenzhydrazide (HCID 311996)

基本情報

CAS: 28036-91-1
標準SMILES: NNC(=O)c1ccc(Cl)c(Cl)c1
InChIKey: VEDIADQJSGNNQE-UHFFFAOYSA-N
分子式: C7H6Cl2N2O
平均分子量: 205.04 g/mol
単同位体質量: 203.9857182

名称と識別子

優先名称: 3,4-Dichlorobenzhydrazide
IUPAC: 3,4-dichlorobenzohydrazide
現地名: 3,4-ジクロロ安息香酸ヒドラジド
英語名: 3,4-DICHLOROBENZENE-1-CARBOHYDRAZIDE
分子式: C7H6Cl2N2O
分子量: 205.04

名称と別名

3,4-dichlorobenzhydrazideRefChem:485974630-247-53,4-dichlorobenzohydrazide28036-91-13,4-Dichlorobenzene-1-Carbohydrazide3,4-DichlorobenzenecarbohydrazideMFCD000170573,4-Dichlorobenzoic acid hydrazideNSC523266Benzoic acid, 3,4-dichloro-, hydrazideSCHEMBL1202191

名称をさらに表示

3,4-ジクロロ安息香酸ヒドラジド3,4-ジクロロベンゼン-1-カルボヒドラジド3,4‐ジクロロベンゼン‐1‐カルボヒドラジド3,4-ジクロロベンズヒドラジド3,4-ジクロロベンゾヒドラジドBUTTPARK 35\03-793,4-Dichlorobenzhydrazide97%3,4-Dichlorobenzoylhydrazine3,4-Dichlorobenzhydrazide 97%3,4-Dichlorobenzohydrazide 97%

AKOS000148165NSC-523266D5392EN300-229305AMY2021000663,4-Dichlor-benzoyl-hydrazin3,4-dichlorobenzoic hydrazideSCHEMBL29994706

データベース識別子

CAS: 28036-91-1
PubChem CID: 311996
DTXSID: DTXSID90309938
EC Number: 630-247-5
Nikkaji: J307.812D

物性

構造計算による物性

XLogP: 2.5
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: 12
形式電荷: 0
複雑度: 177

物理化学的性質

融点: 154 °C · 154 °C
比重(密度): 1.455 · 1.455±0.06 g/cm3(Predicted)
酸解離定数(Pka): 11.3 · 11.30±0.10(Predicted)
外見: powder to crystal
色: White to Light yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 reports by companies from 2 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.