基本情報
- CAS
1208-52-2- 標準SMILES
Nc1ccc(Cc2ccccc2N)cc1- InChIKey
UTNMPUFESIRPQP-UHFFFAOYSA-N- 分子式
- C13H14N2
- 平均分子量
- 198.26 g/mol
- 単同位体質量
- 198.11569846
概要
Leaflets. (NTP, 1992)
名称と識別子
- 優先名称
- 2-(4-Aminobenzyl)aniline
- IUPAC
- 2-[(4-aminophenyl)methyl]aniline
- 現地名
- 2,4'-メチレンジアニリン
- 英語名
- 2,4'-Diaminodiphenylmethane
- 分子式
- C13H14N2
- 分子量
- 198.26
名称と別名
2-(4-aminobenzyl)anilineRefChem:819642,4'-MDA1208-52-22,4'-Diaminodiphenylmethane2,4'-METHYLENEDIANILINE2,4'-Diaminodiphenylmethan2',4-Bis(aminophenyl)methane2-[(4-aminophenyl)methyl]aniline2,4'-Diphenylmethanediamine2,4'-Methylenebis(aniline)o,p'-Diaminodiphenylmethane
名称をさらに表示
2,4'-メチレンジアニリン2,4'-メチレンビスアニリン2,4'-ジアミノジフェニルメタン(2-アミノフェニル)(4-アミノフェニル)メタン2-(4-アミノベンジル)アニリンJACS-1208-52-2aminophenyl methane2,4'-Methylendianilin2',4-methylenedi-anilin
2-((4-Aminophenyl)methyl)benzenaminebenzenamine, 2-[(4-aminophenyl)methyl]-Aniline, 2',4-methylenedi-MFCD016702272-((4-Aminophenyl)methyl)benzeneamineBenzenamine, 2-((4-aminophenyl)methyl)-VH1ZAZ44QJHSDB 6020
データベース識別子
- CAS
1208-52-2- PubChem CID
- 14580
- DTXSID
DTXSID9051616
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 52 Ų
- 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
- 15
- 形式電荷
- 0
- 複雑度
- 185
実験および物理化学的性質
PolymersNitrogen Compounds -> Amines, Polyaromatic
SpringerMaterials PropertiesBoiling point
Boiling Point432 °F at 9 mmHg (NTP, 1992)
Melting Point190 to 192 °F (NTP, 1992)
Physical Description
Leaflets. (NTP, 1992)
Solid; [CAMEO]
物理化学的性質
- 融点
- 88.5 °C · 88.5°C
- 沸点
- 325.59 °C · 325.59°C (rough estimate)
- 比重(密度)
- 0.9827 · 0.9827 (rough estimate)
- 屈折率
- 1.44 · 1.4400 (estimate)
- 貯蔵温度
- 2 · 2-8°C(protect from light)
- 溶解性
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- 外見
- solid
- 酸解離定数(Pka)
- 4.79 · 4.79±0.10(Predicted)
- 色
- Beige
- 安定性
- 安定。可燃性。酸化剤と相容れない。
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 9.6% (14 of 146) of reports.
Danger
H301 (89.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P308+P316, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 146 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Benzenamine, 2-[(4-aminophenyl)methyl]-
Benzenamine, 2-(4-aminophenyl)methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Fire HazardsFlash point data for this compound are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This material emits toxic fumes when heated to decomposition. It may be toxic upon inhalation or skin contact. (NTP, 1992)
Hazards SummaryEmergency treatment: Methemoglobinemia; [HSDB] See 4,4'-Methylenedianiline.
Reactive GroupAmines, Aromatic
Reactivity Profile
2,4'-DIAMINODIPHENYLMETHANE is readily oxidzable. Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
化学と産業
用途と製造
Uses
Used as a research chemical; Not commercially produced in the US; [HSDB] Used as an intermediate for urethane polymers; [NTP]
RESEARCH CHEMICAL
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1979) NOT PRODUCED COMMERCIALLY IN U.S.
(1981) NOT PRODUCED COMMERCIALLY IN U.S.
Methods of ManufacturingNITRATION OF O-NITRODIPHENYLMETHANE IN YELLOW FUMING NITRIC ACID FOLLOWED BY CATALYTIC HYDROGENATION OF THE PRODUCT (LABORATORY SYNTHESIS)
General Manufacturing InformationBenzenamine, 2-[(4-aminophenyl)methyl]-: ACTIVE
応用分野
一般的な説明Leaflets.
上流・下流製品情報
上流原料
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