기본 정보
- 표준 SMILES
O=[N+]([O-])c1ccccc1CCO- InChIKey
SLRIOXRBAPBGEI-UHFFFAOYSA-N- 분자식
- C8H9NO3
- 평균 분자량
- 167.16 g/mol
- 단동위원소 질량
- 167.05824315
개요
O-nitrophenethyl alcohol appears as needles dark brown liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2-Nitrophenethyl alcohol
- IUPAC
- 2-(2-nitrophenyl)ethanol
- 현지명
- 2-니트로페네틸알코올
- 영어명
- 2-Nitrophenethyl alcohol
- 분자식
- C8H9NO3
- 분자량
- 167.16
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
15121-84-3、68966-80-3- PubChem CID
- 27054
- DTXSID
DTXSID2025763- ChEMBL
CHEMBL2137523- UNII
- J2TPT86IRJ
- EC Number
- 239-178-1、273-447-4
- Nikkaji
- J275E
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 66.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 155
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 2 °C · 2 °C(lit.)
- 끓는 점
- 267 °C · 267 °C(lit.)
- 밀도
- 1.19 g/mL · 1.19 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.5637(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 14.63 · 14.63±0.10(Predicted)
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C8H9NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10H,5-6H2
- InChIKey
- SLRIOXRBAPBGEI-UHFFFAOYSA-N
- SMILES
- OCCc1ccccc1[N+]([O-])=O
- NIST
- 2 · Benzeneethanol, 2-nitro-(15121-84-3)
- EPA
- 2 · 2-Nitrobenzeneethanol (15121-84-3)
화학적 성질
brown liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Reactivity Profile
A nitrated alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
안전 및 보호
First Aid
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
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)
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
- tsca
- TSCA listed
- rtecs
- SG8601000
- 독성
- mic-sat 3333 mLg/plate EMMUEG 19(Suppl 21),2,1992
- HS 번호
- 29062990
- hazard_code
- Xi
- safety_code
- 24/25
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing Information
Benzeneethanol, 2-nitro-: INACTIVE
Benzeneethanol, ar-nitro-: INACTIVE
응용 분야
용도2-Nitrophenethyl alcohol was used in the synthesis of indoles.
일반 설명Needles dark brown liquid.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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