1-IODO-4,4,4-트리플루오로부탄

1,1,1-Trifluoro-4-iodobutane

HCID 2775189

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 461-17-6
표준 SMILES: FC(F)(F)CCCI
InChIKey: LNDGACQEAYKNOI-UHFFFAOYSA-N
분자식: C4H6F3I
평균 분자량: 237.99 g/mol
단동위원소 질량: 237.94663285

이름 및 식별자

우선 이름: 1,1,1-Trifluoro-4-iodobutane
IUPAC: 1,1,1-trifluoro-4-iodobutane
현지명: 1-IODO-4,4,4-트리플루오로부탄
영어명: 1,1,1-Trifluoro-4-iodobutane
분자식: C4H6F3I
분자량: 237.99

이름 및 동의어

1,1,1-Trifluoro-4-iodobutane461-17-6DTXSID80379443RefChem:409472DTXCID90330469610-281-71-Iodo-4,4,4-trifluorobutane4,4,4-trifluoro-1-iodobutane4-iodo-1,1,1-trifluorobutaneButane, 1,1,1-trifluoro-4-iodo-MFCD000415431,1,1-trifluoro-4-iodo-butane

이름 더 보기

1-IODO-4,4,4-트리플루오로부탄uoro-4-iodobutane1-Iodo-4,4,4-trifluorobutane99%1-Iodo-4,4,4-trifluorobutane 99%4-Iodo-1,1,1-trifluorobutane 99%

4,4,4-trifluorobutyliodide1-iodo-4,4,4-trifluoro-butaneAS-31128SY013146EN300-72535544,4,4-Trifluorobutyl iodideFT-0607952A826991

데이터베이스 식별자

CAS: 461-17-6
PubChem CID: 2775189
DTXSID: DTXSID80379443
EC Number: 610-281-7
Nikkaji: J1.250.531K

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 58.8

물리화학적 성질

끓는 점: 126 °C · 126 °C
밀도: 1.85 · 1.85
굴절률: 1.4326 · 1.4326
인화점: 100 °C · >100°C
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
BRN: 1736064 · 1736064
InChI: InChI=1S/C4H6F3I/c5-4(6,7)2-1-3-8/h1-3H2
InChIKey: LNDGACQEAYKNOI-UHFFFAOYSA-N
SMILES: C(F)(F)(F)CCCI

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (12.5%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (12.5%)

안전 데이터

HS 번호: 29037990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 23-26-36-37
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 2건

개요1,1,1-Trifluoro-4-iodobutane is an organic compound with the chemical formula CIF3. It is a colorless liquid that reacts with water and alcohol to form hydrogen fluoride and hydrofluoric acid. 1,1,1-Trifluoro-4-iodobutane is a potent sensitizer that can irritate the skin and eyes. It has been used experimentally as a solvent for diethyl ether in the synthesis of piperidinium salts. The cavity viscosity of 1,1,1-trifluoro-4-iodobutane has been measured at room temperature and found to be 0.0038 Pa·s at 25 °C. In laboratory tests, this molecule has shown antibacterial activity against Propionibacterium acnes (P. acnes) and Staphylococcus aureus (S. aureus).

용도1,1,1-Trifluoro-4-Iodobutane can be used to prepare small molecule inhibitors of SLC15A4 possessing anti-inflammatory activity.