Benzene, 1-iodo-4-(trifluoromethyl)- (HCID 67993)

이름 및 식별자

우선 이름: Benzene, 1-iodo-4-(trifluoromethyl)-
IUPAC: 1-iodo-4-(trifluoromethyl)benzene
영어명: 4-Iodobenzotrifluoride
분자식: C7H4F3I
분자량: 272.01

이름 및 동의어

4-Iodobenzotrifluoride1-Iodo-4-(trifluoromethyl)benzenep-IodobenzotrifluorideBenzene, 1-iodo-4-(trifluoromethyl)-EINECS 207-234-4SKGRFPGOGCHDPC-UHFFFAOYSA-RefChem:562495InChI=1/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H455-13-04-(Trifluoromethyl)iodobenzeneMFCD00039398alpha,alpha,alpha-Trifluoro-4-iodotoluene

이름 더 보기

4-IodobenzotrifLBUTTPARK 45\01-804-IodobenztrifluorideIodine benzotrifluorideTrifluorotoluene iodineP-IODO TRIFLUORO TOLUENE

,,-trifluoro-4-iodotoluene4-trifluoromethyl-1-iodobenzene4-(Trifluoromethyl)phenyl iodide4-Iodo-1-(trifluoromethyl)benzene4-iodobenzo trifluoridep-trifluoromethyliodobenzene4-TrifluoromethyliodobenzeneSCHEMBL1616

데이터베이스 식별자

CAS: 455-13-0
PubChem CID: 67993
DTXSID: DTXSID0060012
UNII: QM9YCH292P
EC Number: 207-234-4
Nikkaji: J196.159D

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 124

물리화학적 성질

녹는점: -8.33 °C · -8.33 °C (lit.)
끓는 점: 185 · 185-186 °C/745 mmHg (lit.)
밀도: 1.851 g/mL · 1.851 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.516(lit.)
인화점: 156 °F · 156 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 투명한 연한 노란색에서 노란색 또는 빨간색까지
Specific Gravity: 1.851 · 1.851
수용성: 물에 불용성.
BRN: 1944013 · 1944013
InChI: 1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H
InChIKey: UDHAWRUAECEBHC-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(I)cc1
NIST: 1 · Benzene, 1-iodo-4-(trifluoromethyl)-(455-13-0)
EPA: 4 · 4-Iodobenzotrifluoride (455-13-0)

화학적 성질

4-Iodobenzotrifluoride is a clear red to pink liquid with has the odor of halogenated benzene, is insoluble in water, and is miscible with benzene, toluene, ethanol, ether, halogenated hydrocarbons, etc.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 64 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 1760
HS 번호: 29039990
risk_code: 36/37/38
hazard_code: Xi,T
safety_code: 26-36-37/39
포장분류: III
위험 등급: 8
위험 참고 사항: Toxic/Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-iodo-4-(trifluoromethyl)-: ACTIVE

응용 분야 · 2건

용도4-Iodobenzotrifluoride may be employed as substrate with electron-deficient aromatic ring, during Mizoroki-Heck reaction with acrylic acid, to afford 4-trifluoromethylcinnnamic acid. It undergoes aminocarbonylation in DMF using phosphoryl chloride to give N,N-dimethyl-(4-trifluoromethyl)benzamide.

일반 설명4-Iodobenzotrifluoride undergoes aminocarbonylation in DMF using phosphoryl chloride to give N,N-dimethyl-(4-trifluoromethyl)benzamide. Mechanism of the copper-free Sonogashira cross-coupling reaction of 4-iodobenzotrifluoride with differently para-substituted phenylacetylenes has been investigated.

제조 방법

Synthesis of 4-Iodotrifluorotoluene: Prepared by diazotization and iodination of 4-aminobenzotrifluoride or 4-Iodobenzotrifluoride is prepared by direct iodination with trifluorotoluene as raw material.