1-Nitrobutane
基本情報
- CAS
52006-62-9- 標準SMILES
CCCC[N+](=O)[O-]- InChIKey
NALZTFARIYUCBY-UHFFFAOYSA-N- 分子式
- C4H9NO2
- 平均分子量
- 103.12 g/mol
- 単同位体質量
- 103.06332853
概要
1-nitrobutane is a colorless liquid. (NTP, 1992)
名称と識別子
- 優先名称
- 1-Nitrobutane
- IUPAC
- 1-nitrobutane
- 英語名
- 1-Nitrobutane
- 分子式
- C4H9NO2
- 分子量
- 103.12
名称と別名
1-NITROBUTANE627-05-4Butane, 1-nitro-CCRIS 30891-nitro-butaneNSC 3648EINECS 210-980-3BRN 1743017DTXSID8020967UNII-7R02589S2GAI3-001077R02589S2G
名称をさらに表示
4-01-00-00277 (Beilstein Handbook Reference)NSC-3648MFCD0000740952006-62-9nitrobutaneNSC36481-Nitrobutane, 98%NITROBUTANE, 1-
データベース識別子
- CAS
52006-62-9、627-05-4- PubChem CID
- 12302
- DTXSID
DTXSID8020967- ChEMBL
CHEMBL1448549- ChEBI
CHEBI:138425- UNII
- 7R02589S2G
- EC Number
- 210-980-3
- Nikkaji
- J1.695K
物性
構造計算による物性
- XLogP
- 1.5
- 極性表面積
- 45.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 57.2
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Nitros, Aliphatic
SpringerMaterials PropertiesBoiling point
LogP1.38
Density0.971 (NTP, 1992) - Less dense than water; will float
SolubilitySlightly soluble (NTP, 1992)
Boiling Point307 °F at 760 mmHg (NTP, 1992)
Vapor Pressure3.79 [mmHg]
Physical Description
1-nitrobutane is a colorless liquid. (NTP, 1992)
Colorless liquid; [CAMEO]
物理化学的性質
- 比熱容量
- 1.12 J/ · Cp(gas): 1.12 J/(g·K), at 25℃
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards SummaryHighly flammable; [CAMEO] May cause irritation; [MSDSonline] See Nitroethane.
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity AlertsHighly Flammable
Reactivity Profile
Nitroalkanes, such as 1-NITROBUTANE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive. Nitroalkanes are insoluble in water. Flammable/combustible material. May be ignited by heat, sparks or flames.
Air and Water Reactions
関連反応
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化合物ノート
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