基本情報
- CAS
101-73-5- 標準SMILES
CC(C)Oc1ccc(Nc2ccccc2)cc1- InChIKey
CVVFFUKULYKOJR-UHFFFAOYSA-N- 分子式
- C15H17NO
- 平均分子量
- 227.3 g/mol
- 単同位体質量
- 227.13101417
概要
P-isopropoxydiphenylamine appears as dark gray flakes or flaky black solid. (NTP, 1992)
名称と識別子
- 優先名称
- 4-Isopropoxydiphenylamine
- IUPAC
- N-phenyl-4-propan-2-yloxyaniline
- 現地名
- 4-イソプロポキシジフェニルアミン
- 英語名
- 4-Hydroxydiphenylamine isopropyl ether
- 分子式
- C15H17NO
- 分子量
- 227.3
名称と別名
p-Isopropoxydiphenylamine4-ISOPROPOXYDIPHENYLAMINE4-Isopropoxy-N-phenylanilineBenzenamine, 4-(1-methylethoxy)-N-phenyl-CCRIS 6052HSDB 2874EINECS 202-970-2UNII-259SIX2B44BRN 2647119AI3-14321259SIX2B44ISOPROPOXYDIPHENYLAMINE, P-
名称をさらに表示
4-イソプロポキシジフェニルアミンp-イソプロポキシ-N-フェニルアニリンアゲライトISOp-イソプロポキシジフェニルアミン4-イソプロポキシ-N-フェニルベンゼンアミンN-フェニル-4-(プロパン-2-イルオキシ)アニリンagerite150ageriteiso4-isopropoxy-diphenylaminisopropoxyphenyl-4-aniline4-isopropyloxydiphenylaminePARA-ISOPROPOXYDIPHENYLAMINEDiphenylamine, 4-isopropoxy.p-Isopropoxy-N-phenylaniline
NSC-3050NSC-404958DTXSID20207633-13-00-01021 (Beilstein Handbook Reference)4-ISOPROPOXYDIPHENYLAMINE [HSDB]pIsopropoxydiphenylamineIsopropoxyphenyl4anilineRefChem:99497
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 21.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 4
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 203
実験および物理化学的性質
PolymersNitrogen Compounds -> Amines, Polyaromatic
Density
1.1 (NTP, 1992) - Denser than water; will sink
1.10
Color/FormDARK GRAY FLAKES
Solubility
less than 1 mg/mL at 70 °F (NTP, 1992)
INSOL IN WATER; SOL IN ACETONE, BENZENE, GASOLINE, ETHYL ALCOHOL
Melting Point172 to 176 °F (NTP, 1992)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
P-isopropoxydiphenylamine appears as dark gray flakes or flaky black solid. (NTP, 1992)
Dark gray solid; [HSDB]
物理化学的性質
- 沸点
- 369.02 °C · 369.02°C (rough estimate)
- 比重(密度)
- 1.0235 · 1.0235 (rough estimate)
- 屈折率
- 1.52 · 1.5200 (estimate)
- 安定性
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992)
Hazards SummaryAn irritant; Possible skin sensitizer based on sensitizing chemicals with similar structures; Harmful if swallowed or inhaled; [Aldrich MSDS] See Diphenylamine.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories
化学と産業
用途と製造
Uses
Used as a rubber antioxidant; [HSDB]
RUBBER ANTIOXIDANT
U.S. Exports
(1972) No Data
(1975) No Data
U.S. Imports
(1972) No Data
(1975) No Data
U.S. Production
(1973) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS
Consumption PatternsESSENTIALLY 100% AS RUBBER ANTIOXIDANT
Methods of ManufacturingREACTION OF 4-HYDROXYDIPHENYLAMINE WITH PROPYLENE IN THE PRESENCE OF SULFURIC, PHOSPHORIC OR HYDROFLUORIC ACID
General Manufacturing Information
Benzenamine, 4-(1-methylethoxy)-N-phenyl-: ACTIVE
PURITY 92% (MIN); ASH 0.10% (MAX).
応用分野
使用Rubber antioxidant.
一般的な説明Dark gray flakes or flaky black solid.
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