2-Nitroethanol (HCID 12252)

概要

Mobile dark brown-red liquid with a pungent odor. (NTP, 1992)

名称と識別子

優先名称: 2-Nitroethanol
IUPAC: 2-nitroethanol
現地名: 2-ニトロエタノール
英語名: 2-Nitroethanol
分子式: C2H5NO3
分子量: 91.07

名称と別名

2-NITROETHANOL625-48-9Ethanol, 2-nitro-CCRIS 6076DTXSID8025751EINECS 210-895-1NSC 16151BRN 1633753AI3-28038.beta.-Nitroethyl alcoholDTXCID8057514-01-00-01388 (Beilstein Handbook Reference)

名称をさらに表示

2-ニトロエタノールβ-ニトロエチルアルコール2-ニトロエタン-1-オールnitroethanolB-Nitroethanol2-nitro-ethano2-Nitro-1-ethanolbeta-nitroalcohol2-Nitroethanol>

beta-Nitroethyl alcoholRefChem:887231-NITRO-2-HYDROXYETHANE210-895-1InChI=1/C2H5NO3/c4-2-1-3(5)6/h4H,1-2HKIPMDPDAFINLIV-UHFFFAOYSA-N2-nitroethan-1-olbeta-Nitroethanol

データベース識別子

CAS: 625-48-9
PubChem CID: 12252
DTXSID: DTXSID8025751
ChEMBL: CHEMBL324774
EC Number: 210-895-1
Nikkaji: J1.685C

物性

構造計算による物性

XLogP: -0.4
極性表面積: 66.1 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 6
形式電荷: 0
複雑度: 47.2

実験および物理化学的性質

SpringerMaterials PropertiesSchoenflies notation

LogP-0.42

Density1.27 at 59 °F (NTP, 1992) - Denser than water; will sink

Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)

Flash Pointgreater than 235 °F (NTP, 1992)

Boiling Point381 °F at 765 mmHg (NTP, 1992)

物理化学的性質

融点: -80 °C · -80 °C (lit.)
沸点: 194 °C/765 · 194 °C/765 mmHg (lit.)
比重(密度): 1.27 g/mL · 1.27 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.445(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: クロロホルム、DMSO、メタノール（少量）
外見: 液体
酸解離定数(Pka): 8.42 · 8.42±0.29(Predicted)
色: クリアイエロー
BRN: 1633753 · 1633753
Henry's Law Constant: 2 · 2.0×102 mol/(m3Pa) at 25℃, Raventos-Duran et al. (2010)
InChI: InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2
InChIKey: KIPMDPDAFINLIV-UHFFFAOYSA-N
SMILES: C(O)C[N+]([O-])=O
CAS データベース: 625 · 625-48-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · Ethanol, 2-nitro-(625-48-9)
EPAの化学物質情報: 2 · 2-Nitroethanol (625-48-9)

化学的性質

化学的特性Clear yellow 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 46 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 InformationEthanol, 2-nitro-: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsThis chemical is probably combustible. (NTP, 1992)

Health HazardsSYMPTOMS: The vapor or mist of this compound is irritating to the eyes, mucous membranes and upper respiratory tract. It also causes skin irritation.

Reactive GroupAlcohols and Polyols

Reactivity Profile2-NITROETHANOL is incompatible with strong oxidizing agents, strong bases, acid chlorides and acid anhydrides. It has exploded under vacuum distillation(attributed to the presence of peroxides or alkali). (NTP, 1992)

Air and Water ReactionsHygroscopic. Insoluble in water.

安全と保護具

Fire FightingFires involving this chemical should be controlled using a carbon dioxide, dry chemical 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 60-70% 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.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

F: 3
wgk: 3
rtecs: KL9370000
hs_code: 29055910
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用2-Nitroethanol is an aliphatic β-nitro alcohol used as an in vivo therapeutic corneoscleral crosslinking agents with higher order nitroalcohol. It also functions as a crosslinking reagent for scieral tissue cross-linking of the eye cornea for treating keratoconus and post-surgical keratectasia.

一般的な説明Mobile dark brown-red liquid with a pungent odor.