Pentafluorobenzene (HCID 9696)

이름 및 식별자

우선 이름: Pentafluorobenzene
IUPAC: 1,2,3,4,5-pentafluorobenzene
현지명: 펜타플로로벤젠
영어명: Pentafluorobenzene
분자식: C6HF5
분자량: 168.06

이름 및 동의어

PENTAFLUOROBENZENE363-72-41,2,3,4,5-PentafluorobenzeneBenzene, pentafluoro-EINECS 206-658-7IH36LU53XSBenzene, 1,2,3,4,5-pentafluoro-NSC 88293NSC-88293DTXSID8059893363-88-2Benzene, pentafluoro

이름 더 보기

펜타플로로벤젠펜타플루오로벤젠48945Five fluorinePentafluorobenzolpentafluoro-benzenbenzene,pentafluoro-Pentafluorobenzene>Pentafluorobenzene,99%Pentafluorobenzene,98+%

RefChem:859801DTXCID4039154Benzene, 1,2,3,4,5pentafluoro206-658-7690-865-6C6HF5MFCD00000286UNII-IH36LU53XS

데이터베이스 식별자

CAS: 363-72-4、363-88-2
PubChem CID: 9696
DTXSID: DTXSID8059893
UNII: IH36LU53XS
EC Number: 206-658-7、690-865-6
Nikkaji: J40J

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 125

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesCoriolis coupling

LogP2.53

Vapor Pressure67.6 [mmHg]

Physical DescriptionColorless liquid; [MSDSonline]

물리화학적 성질

녹는점: -48 °C · -48 °C (lit.)
끓는 점: 85 °C · 85 °C (lit.)
밀도: 1.514 g/mL · 1.514 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.391(lit.)
인화점: 57 °F · 57 °F
저장 조건: room temp
용해도: 0.4 g/L · 0.4g/L
물리적 상태: 액체
Specific Gravity: 1.514 · 1.514
색상: 무색의
수용성: 물에 불용성.
BRN: 1911549 · 1911549
Henry's Law Constant: 7.5 · 7.5×10-4 mol/(m3Pa) at 25℃, Hiatt (2013)
Dielectric constant: 4.36 · 4.3600000000000003
안정성: 안정적인. 강한 산화제와 호환되지 않습니다. 가연성이 높습니다.
InChI: 1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey: WACNXHCZHTVBJM-UHFFFAOYSA-N
SMILES: Fc1cc(F)c(F)c(F)c1F
NIST: Benzene, pentafluoro-(363-72-4)
EPA: Pentafluorobenzene (363-72-4)

화학적 성질

Clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 4.2% (1 of 24) of reports.

Danger

H225 (91.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 24 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory InformationPentafluorobenzene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Harmful if swallowed; [MSDSonline]

Hazard Classes and Categories · 2건

Flam. Liq. 2 (91.7%)

Flam. Liq. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DA6651600
ridadr: UN 1993 3/PG 2
HS 번호: 29036990
risk_code: 11-22-36/38-36/37/38-41-37/38-39/23/24/25-23/24/25
hazard_code: F,Xn,Xi,T
safety_code: 26-37/39-16-39-45-36/37-7
포장분류: III
위험 등급: 3
기존화학 물질: KE-27935
위험 참고 사항: Flammable
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1,2,3,4,5-pentafluoro-: ACTIVE

응용 분야 · 1건

용도Pentafluorobenzene is a fluorinated benzene with anesthetic properties. Pentafluorobenzene has been shown to potently and reversibly inhibited human α4β2 neuronal nicotinic acetylcholine receptor depe ndent on drug hydrophobicity in Xenopus laevis oocyte.