CAS 622-15-1 N,N'-Diphenylformamidine (HCID 94888)

名称と識別子

優先名称: N,N'-Diphenylformamidine
IUPAC: N,N'-diphenylmethanimidamide
現地名: N,N'-ジフェニルホルムアミジン
英語名: N,N'-Diphenylformamidine
分子式: C13H12N2
分子量: 196.25

名称と別名

N,N'-DiphenylformamidineN,N'-DiphenylmethanimidamideMethanimidamide, N,N'-diphenyl-N,N'-DiphenylformamideneN,N'-DiphenymethanimidamideEINECS 210-720-9AI3-01807NSC 6789DTXSID8060745RefChem:161024DTXCID1043257Formamidine, N,N'-diphenyl-(6CI,7CI,8CI)

名称をさらに表示

N,N'-ジフェニルホルムアミジンN-フェニル(アニリノメタン)イミンN1,N2-ジフェニルホルムアミジンN,N'-ジフェニルメタンイミドアミドN-(フェニルイミノメチル)アニリンN,N′-ジフェニルホルムアミジンN，N’-ジフェニルホルムアミジンN,N′‐ジフェニルホルムアミジンN-[(フェニルイミノ)メチル]アニリンN,N′-ジフェニルメタンイミドアミドN-(アニリノメチレン)アニリンDIPHENYLFORMAMIDINELABOTEST-BB LTBB000577N’N-Diphenylformamidinen,n’-diphenyl-formamidinn,n’-diphenylformamidenen,n′-diphenylformamidineN1,N2-diphenylformamidine

210-720-9ZQUVDXMUKIVNOW-UHFFFAOYSA-N622-15-1N,N'-Diphenylformimidamide(E)-N,N'-diphenylformimidamideMFCD00003026Formamidine, N,N'-diphenyl-148651-26-7

データベース識別子

CAS: 622-15-1
PubChem CID: 94888
DTXSID: DTXSID8060745
UNII: 8KKX998CU5
EC Number: 210-720-9
Nikkaji: J3.734.572E、J37.751A

物性

構造計算による物性

XLogP: 2.9
極性表面積: 24.4 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: 3
重原子数: 15
形式電荷: 0
複雑度: 189

実験および物理化学的性質

Kovats Retention Index1933

物理化学的性質

融点: 136 · 136-139 °C(lit.)
沸点: 323.14 °C · 323.14°C (rough estimate)
比重(密度): 1.1265 · 1.1265 (rough estimate)
屈折率: 1.5014 · 1.5014 (estimate)
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 結晶性粉末または結晶
酸解離定数(Pka): 7.7 · 7.70±0.10(Predicted)
色: ホワイトからイエロー、ベージュ
BRN: 511953 · 511953
InChI: 1S/C13H12N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-11H,(H,14,15)
InChIKey: ZQUVDXMUKIVNOW-UHFFFAOYSA-N
SMILES: N(\C=N\c1ccccc1)c2ccccc2
CAS データベース: 622 · 622-15-1(CAS DataBase Reference)
NISTの化学物質情報: N,n'-diphenylformamidine(622-15-1)
EPAの化学物質情報: N,N'-Diphenylformamidine (622-15-1)

化学的性質

化学的特性white to yellowish crystals or cryst. powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (57.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (57.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (57.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (57.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 7 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

F: 10-21
wgk: 3
tsca: TSCA listed
rtecs: PB7705000
hs_code: 29215900
risk_code: 22
化審法: (3)-375
hazard_code: Xn
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationMethanimidamide, N,N'-diphenyl-: ACTIVE

応用分野

使用N,N''-Diphenylformamidine is used in the preparation of polyfluoro benzoxazole polymethine dyes which are used as fluorescent labels for biomolecules.

一般的な説明N,N′-Diphenylformamidine is an N,N-disubstituted formamide and it forms adducts with phosgeneand oxalyl chloride.