2-Nitroethanol (HCID 12252)

개요

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

이름 및 식별자

우선 이름: 2-Nitroethanol
IUPAC: 2-nitroethanol
영어명: 2-Nitroethanol
분자식: C2H5NO3
분자량: 91.07

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 66.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 47.2

실험 및 물리화학적 성질

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)

물리화학적 성질

녹는점: -80 °C · -80 °C (lit.)
끓는 점: 194 °C/765 · 194 °C/765 mmHg (lit.)
밀도: 1.27 g/mL · 1.27 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.445(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름, DMSO, 메탄올(아껴서)에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 8.42 · 8.42±0.29(Predicted)
색상: 맑은 노란색
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
NIST: 2 · Ethanol, 2-nitro-(625-48-9)
EPA: 2 · 2-Nitroethanol (625-48-9)

화학적 성질

Clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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.

안전 및 보호

Fire FightingFires involving this chemical should be controlled using a carbon dioxide, dry chemical or Halon extinguisher. (NTP, 1992)

First Aid · 1건

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 · 1건

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) · 1건

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)

안전 데이터

wgk: 3
rtecs: KL9370000
HS 번호: 29055910
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 3
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도2-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.

일반 설명Mobile dark brown-red liquid with a pungent odor.