Chloropentafluorobenzene (HCID 9579)

이름 및 식별자

우선 이름: Chloropentafluorobenzene
IUPAC: 1-chloro-2,3,4,5,6-pentafluorobenzene
영어명: Chloropentafluorobenzene
분자식: C6ClF5
분자량: 202.51

이름 및 동의어

CHLOROPENTAFLUOROBENZENE344-07-0PentafluorochlorobenzeneBenzene, chloropentafluoro-Pentafluorophenyl chloride3D8A2YE2U8NSC-96886DTXSID4059837Benzene, 1-chloro-2,3,4,5,6-pentafluoro-RefChem:125467DTXCID4038841206-450-6

이름 더 보기

oropentafLChloropentafluorobenChlorpentafluorbenzolpentaflurobenzoic acidPentafluorochlorobenzolchloropentafluoro-benzen

1-Chloro-2,3,4,5,6-pentafluorobenzeneChloroperfluorobenzeneC6ClF5MFCD000005341-chloro-2,3,4,5,6-pentafluoro-benzenepentafluorophenylchloride1,2,3,4,5-Pentafluoro-6-chlorobenzeneUNII-3D8A2YE2U8

데이터베이스 식별자

CAS: 344-07-0
PubChem CID: 9579
DTXSID: DTXSID4059837
UNII: 3D8A2YE2U8
EC Number: 206-450-6
Nikkaji: J95.789E

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 150

실험 및 물리화학적 성질

Kovats Retention Index748

물리화학적 성질

녹는점: -15.66 °C · -15.66°C
끓는 점: 122 · 122-123 °C/750 mmHg (lit.)
밀도: 1.568 g/mL · 1.568 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.424(lit.)
인화점: 116 · 116-118°C
저장 조건: Refrigerator
물리적 상태: 액체
색상: 무색의
Specific Gravity: 1.651 · 1.651.568
BRN: 1819389 · 1819389
InChI: InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey: KGCDGLXSBHJAHZ-UHFFFAOYSA-N
SMILES: C1(Cl)=C(F)C(F)=C(F)C(F)=C1F
EPA: Benzene, chloropentafluoro- (344-07-0)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (95.2%)；Eye Irrit. 2 (95.2%)；STOT SE 3 (95.2%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: CZ1225500
독성: dns-rat:lvr 10 mg/L NTIS** AD-A165-849
HS 번호: 29039990
risk_code: 20-36/37/38
hazard_code: Xn,Xi
safety_code: 23-24/25-26
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 Inhalation
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-chloro-2,3,4,5,6-pentafluoro-: INACTIVE

응용 분야 · 2건

용도Chloropentafluorobenzene has been used in the preparation of:1,2-difluoro-1,2-bis-(pentafluorophenyl)dichlorane via fluorination with elemental fluorine at 128°C5-chloro-1-(difluorochloro)-2,3,4,5,6,6-hexafluoro-1,3-cyclohexadiene via reaction with chlorine trifluoride at 78°C

일반 설명Reaction between chloropentafluorobenzene and strong N-bases in polar aprotic solvents and in the presence of water has been investigated. Chloropentafluorobenzene on reaction with ammonia yields 4-chloro-2,3,5,6-tetrafluoroaniline and 2-chloro-3,4,5,6-tetrafluoroaniline.