기본 정보
- 표준 SMILES
Oc1ccccc1F- InChIKey
HFHFGHLXUCOHLN-UHFFFAOYSA-N- 분자식
- C6H5FO
- 평균 분자량
- 112.1 g/mol
- 단동위원소 질량
- 112.032443
개요
2-fluorophenol appears as liquid or crystalline solid melting at 14-16 °C. Corrosive. Density 1.246 g / cm3.
이름 및 식별자
- 우선 이름
- 2-Fluorophenol
- IUPAC
- 2-fluorophenol
- 현지명
- 플로로페놀
- 영어명
- 2-Fluorophenol
- 분자식
- C6H5FO
- 분자량
- 112.1
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
367-12-4- PubChem CID
- 9707
- DTXSID
DTXSID0047745- ChEMBL
CHEMBL224144- UNII
- I9OW1NLY9R
- EC Number
- 206-681-2
- Nikkaji
- J110.443H
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 74.9
실험 및 물리화학적 성질
Physical Description
2-fluorophenol appears as liquid or crystalline solid melting at 14-16 °C. Corrosive. Density 1.246 g / cm3.
Liquid or solid; mp = 14-16 deg C; [CAMEO] Colorless liquid; [MSDSonline]
물리화학적 성질
- 녹는점
- 16.1 °C · 16.1 °C (lit.)
- 끓는 점
- 171 · 171-172 °C/741 mmHg (lit.)
- 밀도
- 1.256 g/mL · 1.256 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.511(lit.)
- 인화점
- 116 °F · 116 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 37.7 g/L · 37.7g/L
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 8.73 · 8.73(at 25℃)
- Specific Gravity
- 1.256 · 1.256
- 색상
- 투명한 무색~연한 황갈색을 띤다.
- 수용성
- 80.72 g/L · 80.72g/L(25℃)
- BRN
- 1905112 · 1905112
- Henry's Law Constant
- 3.1 · 3.1×100 mol/(m3Pa) at 25℃, Abraham et al. (1994)
- 안정성
- 안정적인. 가연성. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H
- InChIKey
- HFHFGHLXUCOHLN-UHFFFAOYSA-N
- SMILES
- Oc1ccccc1F
- NIST
- 2 · Phenol, 2-fluoro-(367-12-4)
- EPA
- o-Fluorophenol (367-12-4)
화학적 성질
Clear colourless to yellow liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 3.3% (1 of 30) of reports.
Danger
H226 (96.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Phenol, 2-fluoro-
2-Fluorophenol: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
2-FLUOROPHENOL reacts as a weak organic acid. May be incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction with bases. Such heating may initiate polymerization of the organic compound. Sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Nitrated very rapidly, even by dilute nitric acid.
안전 및 보호
Fire Fighting
This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)
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: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
독성 정보
EPA Provisional Peer-Reviewed Toxicity Values
2-Fluorophenol
PDF Document
2004
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SL4530000
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29081000
- risk_code
- 20/21/22-36/37/38-10-63-43-23/24/25-45-40
- hazard_code
- Xn,F,C,Xi,T
- safety_code
- 28-36/37-36/37/39-26-16-24/25-23-53-36
- 포장분류
- III
- 위험 등급
- 3
- 위험 참고 사항
- Flammable/Corrosive
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
응용 분야
일반 설명Liquid or crystalline solid melting at 14-16°C. Corrosive. Density 1.246 g / cm3.
상·하류 제품 정보
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