1-ニトロヘキサン

1-Nitrohexane

HCID 12589CAS 25495-95-8

基本情報

標準SMILES
CCCCCC[N+](=O)[O-]
InChIKey
FEYJIFXFOHFGCC-UHFFFAOYSA-N
分子式
C6H13NO2
平均分子量
131.17 g/mol
単同位体質量
131.09462866

概要

1-nitrohexane is a clear colorless liquid. Insoluble in water. (NTP, 1992)

名称と識別子

優先名称
1-Nitrohexane
IUPAC
1-nitrohexane
現地名
1-ニトロヘキサン
英語名
1-NITROHEXANE
分子式
C6H13NO2
分子量
131.17

名称と別名

1-NITROHEXANE646-14-0NitrohexaneHexane, 1-nitro-1-nitro-hexaneHexane, nitro-CCRIS 6262UNII-18XLQ74WTH18XLQ74WTHEINECS 211-467-7DTXSID302575825495-95-8
名称をさらに表示
1-ニトロヘキサン1-Nitrohexane 98%1-NITROHEXANE, STANDARD FOR GC
NITROHEXANE, 1-DTXCID605758CHEBI:89185FEYJIFXFOHFGCC-UHFFFAOYSA-N-NITROHEXANERefChem:76592211-467-7FEYJIFXFOHFGCC-UHFFFAOYSA-N

データベース識別子

CAS
25495-95-8、646-14-0
PubChem CID
12589
DTXSID
DTXSID3025758
ChEMBL
CHEMBL1234594
ChEBI
CHEBI:89185
UNII
18XLQ74WTH
EC Number
211-467-7
Nikkaji
J95.681C

物性

構造計算による物性

XLogP
2.7
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
4
重原子数
9

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient
Density0.939 (NTP, 1992) - Less dense than water; will float
SolubilityInsoluble (NTP, 1992)
Boiling Point356 to 358 °F at 760 mmHg (NTP, 1992)
Physical Description1-nitrohexane is a clear colorless liquid. Insoluble in water. (NTP, 1992)

物理化学的性質

融点
23.5 °C · 23.5°C (estimate)
沸点
91 · 91-92 °C/24 mmHg (lit.)
比重(密度)
0.94 g/mL · 0.94 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.423(lit.)
闪点
72 °C · 72 °C
貯蔵温度
-20 °C · -20°C Freezer

化学的性質

化学的特性Colourless Liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, 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

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile · 1 件

Nitroalkanes, such as 1-NITROHEXANE, 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 ReactionsInsoluble in water.

安全と保護具

Fire FightingFires involving this material should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: When working with this chemical, wear a NIOSH-approved full face chemical cartridge respirator equipped with the appropriate organic vapor cartridges. If that is not available, a half face respirator similarly equipped plus airtight goggles can be substituted. However, please note that half face respirators provide a substantially lower level of protection than do full face respirators. (NTP, 1992)

安全データ

F
8
wgk
3
ridadr
2810
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

化学と産業

応用分野

使用1-Nitrohexane is used in method for preparing amine by reducing nitro compound with pinacolborane under catalysis of cyclic (alkyl) (amino) carbene chromium complex.

一般的な説明Clear colorless liquid. Insoluble in water.

関連反応

17 件

関連ノート

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