Benzamide, N-(4-aminophenyl)- (HCID 87196)

名称と識別子

優先名称: Benzamide, N-(4-aminophenyl)-
IUPAC: N-(4-aminophenyl)benzamide
現地名: N-ベンゾイル-p-フェニレンジアミン
英語名: 4'-Aminobenzanilide
分子式: C13H12N2O
分子量: 212.25

名称と別名

17625-83-1N-(4-Aminophenyl)benzamideBenzamide, N-(4-aminophenyl)-EINECS 241-603-0DTXSID2066228RefChem:117151DTXCID1035608GTTFJYUWPUKXJH-UHFFFAOYSA-NInChI=1/C13H12N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,164'-AminobenzanilideMFCD00035777n-(4-Aminophenyl)-benzamide

名称をさらに表示

4'-アミノベンズアニリドN-ベンゾイル-p-フェニレンジアミンN-(4-アミノフェニル)ベンズアミド4アミノベンズアニリド4′-アミノベンズアニリド4-AMINOBENZANILIDEAKOS BB-8148ASISCHEM X23020AminobenzanilideP-AMINOBENZANILIDETIMTEC-BB SBB009760ART-CHEM-BB B025194LABOTEST-BB LT00052391Aminobenzaldehydepolymer

N-(4-Amino-phenyl)-benzamideBenzoic Acid-(4-amino-anilide); N-(4-Amino-phenyl)-benzamide;4\'-AminobenzanilideN-benzoyl 4-aminoaniline4 inverted exclamation mark -AminobenzanilideCBMicro_0164354'-Aminobenzanilide, 95%6ZAH652RVV

データベース識別子

CAS: 17625-83-1
PubChem CID: 87196
DTXSID: DTXSID2066228
ChEMBL: CHEMBL260457
UNII: 6ZAH652RVV
EC Number: 241-603-0
Nikkaji: J82.653G

物性

構造計算による物性

XLogP: 1.9
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: 2
重原子数: 16
形式電荷: 0
複雑度: 228

物理化学的性質

融点: 127 · 127-131 °C(lit.)
沸点: 308.6 · 308.6±25.0 °C(Predicted)
比重(密度): 1.244 · 1.244±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: DMSO、メタノールに可溶。
酸解離定数(Pka): 13.14 · 13.14±0.70(Predicted)
外見: 個体
色: 茶色
InChI: 1S/C13H12N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
InChIKey: GTTFJYUWPUKXJH-UHFFFAOYSA-N
SMILES: Nc1ccc(NC(=O)c2ccccc2)cc1
CAS データベース: 17625 · 17625-83-1(CAS DataBase Reference)
NISTの化学物質情報: Benzamide, n-(4-aminophenyl)-(17625-83-1)
EPAの化学物質情報: Benzamide, N-(4-aminophenyl)- (17625-83-1)

化学的性質

化学的特性Brown Solid

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 (100%): 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 43 reports by companies from 3 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 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 2924297099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
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

用途と製造

General Manufacturing InformationBenzamide, N-(4-aminophenyl)-: ACTIVE

応用分野

使用4'-Aminobenzanilide is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff field. It has anticonvulsant property.