4-Cyanobenzohydrazide

HCID 456732CAS 43038-36-4

基本情報

標準SMILES: N#Cc1ccc(C(=O)NN)cc1
InChIKey: PJWRZYGGTHXGQO-UHFFFAOYSA-N
分子式: C8H7N3O
平均分子量: 161.16 g/mol
単同位体質量: 161.05891184

名称と識別子

優先名称: 4-Cyanobenzohydrazide
IUPAC: 4-cyanobenzohydrazide
英語名: Benzoic acid, 4-cyano-, hydrazide (9CI)
分子式: C8H7N3O
分子量: 161.16

名称と別名

4-cyanobenzohydrazide43038-36-4DTXSID30332442RefChem:98651DTXCID20283535801-759-84-Cyanobenzoylhydrazine4-cyanobenzhydrazideBenzoic acid, 4-cyano-, hydrazide (9CI)MFCD030145034CNPhCON24-cyano-benzohydrazide

名称をさらに表示

4-cyano-benzhydrazide4-cyanobenzoic hydrazide4-Cyan-benzoesaeure-hydrazid4-cyanobenzoic acid hydrazideBenzoic acid, 4-cyano-, hydrazideBenzoic acid, p-cyano-, hydrazide4-cyanobenzohydrazide(SALTDATA: FREE)

SCHEMBL2216534-cyano-benzoic acid hydrazide4-Cyanobenzoic acid, hydrazide4-???benzenecarbonitrilePJWRZYGGTHXGQO-UHFFFAOYSA-NALBB-005868STK503581AKOS002657037

データベース識別子

CAS: 43038-36-4
PubChem CID: 456732
DTXSID: DTXSID30332442
EC Number: 801-759-8
Nikkaji: J1.369.124J

物性

構造計算による物性

XLogP: 0.3
極性表面積: 78.9 Å²
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: 12
形式電荷: 0
複雑度: 210

物理化学的性質

融点: 202 · 202-203 °C
比重(密度): 1.28 · 1.28±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 11 · 11+-.0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.