CAS 620-84-8 N-Phenyl-p-toluidine (HCID 12109)

基本情報

CAS: 620-84-8
標準SMILES: Cc1ccc(Nc2ccccc2)cc1
InChIKey: AGHYMXKKEXDUTA-UHFFFAOYSA-N
分子式: C13H13N
平均分子量: 183.25 g/mol
単同位体質量: 183.10479942

名称と識別子

優先名称: N-Phenyl-p-toluidine
IUPAC: 4-methyl-N-phenylaniline
現地名: 4-メチルジフェニルアミン
英語名: 4-Methyldiphenylamine
分子式: C13H13N
分子量: 183.25

名称と別名

4-Methyldiphenylamine620-84-8Benzenamine, 4-methyl-N-phenyl-N-Phenyl-p-toluidinep-Toluidine, N-phenyl-8LQZ8N5BSLn-4-tolylaniline(4-methylphenyl)phenylamineEINECS 210-655-64-Methyl-N-phenylbenzenamineDTXSID5060724N-(4-methylphenyl)-N-phenylamine

名称をさらに表示

4-メチルジフェニルアミンN-フェニル-4-メチルアニリンN‐フェニル‐4‐メチルアニリンN-フェニル-p-トルイジン4-メチルジフェニルアミン, 98%N-(4-メチルフェニル)ベンゼンアミン4-メチル(イミノビスベンゼン)フェニルp-トリルアミンN-フェニル-p-メチルアニリン4-メチル-N-フェニルアニリン4-メチルフェニルフェニルアミン(p-トリル)フェニルアミンN-フェニル-4-メチルベンゼンアミンN-(4-メチルフェニル)アニリンN-(p-トリル)アニリンフェニル(4-メチルフェニル)アミン4-METHYDIPHENYLAMINEPHENYL-P-TOLYL-AMINE4-Methyldiphenylamine>4-Methyl two phenylaMine2/ 4-Methyldiphenyl Amine4-METHYLDIPHENYLAMINE 98+%

N-P-TOLYLANILINEP-METHYLDIPHENYLAMINERefChem:830976DTXCID0043210210-655-64-methyl-N-phenylanilineMFCD00092921Phenyl-p-tolylamine

データベース識別子

CAS: 620-84-8
PubChem CID: 12109
DTXSID: DTXSID5060724
ChEMBL: CHEMBL1540398
UNII: 8LQZ8N5BSL
EC Number: 210-655-6
Nikkaji: J29.920K

物性

構造計算による物性

XLogP: 3.9
極性表面積: 12 Å²
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: 2
重原子数: 14
形式電荷: 0
複雑度: 153

物理化学的性質

融点: 90 °C · 90°C
沸点: 317 °C · 317 °C / 704mmHg
比重(密度): 1.065 · 1.0650 (rough estimate)
屈折率: 1.5963 · 1.5963 (estimate)
闪点: 155 ° · 155°(311°F)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 1.23 · 1.23±0.20(Predicted)
外見: 結晶性
色: ペールブラウン
水溶解度: 水に不溶。ベンゼン、トルエン、メタノール、エタノールに可溶
InChI: InChI=1S/C13H13N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKey: AGHYMXKKEXDUTA-UHFFFAOYSA-N
SMILES: C1(NC2=CC=CC=C2)=CC=C(C)C=C1
CAS データベース: 620 · 620-84-8(CAS DataBase Reference)
EPAの化学物質情報: 4 · Benzenamine, 4-methyl-N-phenyl- (620-84-8)

化学的性質

化学的特性White crystalline

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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 CategoriesAcute Tox. 4 (83.3%)；Skin Irrit. 2 (83.3%)；Eye Irrit. 2 (83.3%)

安全データ

wgk: WGK 3
tsca: TSCA listed
hs_code: 29214400
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 4-methyl-N-phenyl-: ACTIVE

応用分野

使用4-Methyldiphenylamine is used as a syntheses material intermediates as well as OLED materials. It can be used in agrochemical, pharmaceutical and dyestuff field.