基本情報
- 標準SMILES
CCCCNc1ccccc1- InChIKey
VSHTWPWTCXQLQN-UHFFFAOYSA-N- 分子式
- C10H15N
- 平均分子量
- 149.23 g/mol
- 単同位体質量
- 149.12044948
概要
N-butylaniline appears as an amber colored liquid. Slightly denser than water and insoluble in water. May be toxic by skin absorption and ingestion. Severely irritates skin and eyes. Used to make dyes.
名称と識別子
- 優先名称
- N-Butylaniline
- IUPAC
- N-butylaniline
- 現地名
- N-ブチルアニリン
- 英語名
- N-Phenyl-n-butylamine
- 分子式
- C10H15N
- 分子量
- 149.23
名称と別名
名称をさらに表示
データベース識別子
- CAS
1126-78-9- PubChem CID
- 14310
- DTXSID
DTXSID9044370- ChEMBL
CHEMBL3187651- UNII
- R2ZNJ7L2UM
- EC Number
- 214-425-6
- Nikkaji
- J1.760D
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 12 Ų
- 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
- 4
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 84.9
実験および物理化学的性質
物理化学的性質
- 融点
- -12 °C · -12 °C
- 沸点
- 241 °C · 241 °C
- 比重(密度)
- 0.93 · 0.93
- 屈折率
- 1.5325 · 1.5325-1.5345
- 闪点
- 107 °C · 107 °C
- 酸解離定数(Pka)
- 5.05 · 5.05±0.20(Predicted)
- 外見
- clear liquid
- 色
- Light yellow to Brown
- 水溶解度
- 不溶性
- CAS データベース
- 1126 · 1126-78-9(CAS DataBase Reference)
- NISTの化学物質情報
- N-Butylaniline(1126-78-9)
- EPAの化学物質情報
- N-Butylaniline (1126-78-9)
化学的性質
化学的特性CLEAR LIGHT YELLOW TO YELLOW-ORANGE LIQUID
安全と法規制
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, 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 99 reports by companies from 11 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, N-butyl-
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
Reactivity Profile
N-BUTYLANILINE 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.
DOT Hazard Classification
N-Butylaniline
UN2738
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG II: the degree of danger presented by the material is medium
安全と保護具
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Immediate precautionary measure
安全データ
- tsca
- TSCA listed
- rtecs
- BW9450000
- ridadr
- UN 2738
- hs_code
- 2921420090
- risk_code
- 20/22-36/37/38-22
- 化審法
- (3)-118, (3)-206
- 消防法
- 危-4-3-III
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 28A-37/39-26
- hazard_class
- 6.1
- packing_group
- II
- 毒劇物取締法
- 劇物
化学と産業
用途と製造
応用分野
用途有機合成原料。
使用N-Butylaniline is used in preparation of Cyano Tertiary Amine.
一般的な説明An amber colored liquid. Slightly denser than water and insoluble in water. May be toxic by skin absorption and ingestion. Severely irritates skin and eyes. Used to make dyes.
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