4-Bromo-1,1,1-trifluorobutane

HCID 521006

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 406-81-5
표준 SMILES: FC(F)(F)CCCBr
InChIKey: DBCAQXHNJOFNGC-UHFFFAOYSA-N
분자식: C4H6BrF3
평균 분자량: 190.99 g/mol
단동위원소 질량: 189.96049695

이름 및 식별자

우선 이름: 4-Bromo-1,1,1-trifluorobutane
IUPAC: 4-bromo-1,1,1-trifluorobutane
영어명: 1-BROMO-4,4,4-TRIFLUOROBUTANE
분자식: C4H6BrF3
분자량: 190.99

이름 및 동의어

4-Bromo-1,1,1-trifluorobutane406-81-5DTXSID50334529RefChem:518792DTXCID60285619670-279-71-Bromo-4,4,4-trifluorobutane4,4,4-Trifluoro-1-bromobutaneMFCD000663354,4,4-Trifluorobutyl bromide4,4,4-trifluorobutylbromideSCHEMBL189853

이름 더 보기

1-Bromo-4,4,4-trifluorobutane97%Butane, 4-bromo-1,1,1-trifluoro-4-Bromo-1,1,1-trifluorobutane 97%1-Bromo-4,4,4-trifluorobutane 97%1-Bromo-4,4,4-trifluorobutane-98%

SCHEMBL5598269SCHEMBL21381342SCHEMBL284174081,1,1-trifluoro-4-bromobutane1-bromo 4,4,4-trifluoro butane4-bromo-1,1,1-trifluoro-butane4-Bromo-1,1,1-trifluorobutane #SBB091214

데이터베이스 식별자

CAS: 406-81-5
PubChem CID: 521006
DTXSID: DTXSID50334529
EC Number: 670-279-7
Nikkaji: J1.596.983K

물성

구조 계산 물성

XLogP: 2.8
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: 103 °C · 103 °C
밀도: 1.555 · 1.555
굴절률: 1.382 · 1.382
인화점: 103 · 103-105°C
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 투명한
수용성: 물과 섞이지 않습니다.
BRN: 1736058 · 1736058
InChI: InChI=1S/C4H6BrF3/c5-3-1-2-4(6,7)8/h1-3H2
InChIKey: DBCAQXHNJOFNGC-UHFFFAOYSA-N
SMILES: C(F)(F)(F)CCCBr

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (25%): 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 (25%)

안전 데이터

wgk: WGK 3
ridadr: 1993
HS 번호: 2903793090
risk_code: 11-36/37/38-36-25
hazard_code: Xi,T
safety_code: 16-26-36-45
포장분류: II
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 2건

개요1-Bromo-4,4,4-trifluorobutane is a chemical compound that is used in the treatment of tumors. It is effective as a radiosensitizer and can be used to treat cancerous tumors. It also has been shown to bind to copper, which may lead to potential uses in polymer synthesis. The binding affinity of 1-bromo-4,4,4-trifluorobutane with copper is powerful and forms stable complexes with the metal. This chemical can be synthesized by reacting 1-bromoethanol with 3 equivalents of TFAA and one equivalent of CuCl2 at room temperature in THF.

용도1-Bromo-4,4,4-trifluorobutane is used as pharmaceutical intermediate.