4-Iodo-1,2-dimethylbenzene

HCID 141646

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 31599-61-8
표준 SMILES: Cc1ccc(I)cc1C
InChIKey: CSFRCLYFVINMBZ-UHFFFAOYSA-N
분자식: C8H9I
평균 분자량: 232.06 g/mol
단동위원소 질량: 231.97489829

이름 및 식별자

우선 이름: 4-Iodo-1,2-dimethylbenzene
IUPAC: 4-iodo-1,2-dimethylbenzene
영어명: 4-Iodo-1,2-dimethylbenzene
분자식: C8H9I
분자량: 232.06

이름 및 동의어

4-Iodo-1,2-dimethylbenzeneRefChem:524117628-993-131599-61-84-Iodo-o-xylene3,4-dimethyliodobenzeneBenzene, 4-iodo-1,2-dimethyl-1,2-Dimethyl-4-iodobenzene1-Iodo-3,4-dimethylbenzeneMFCD000409894-IODO-ORTHO-XYLENE4-iodo-orthoxylene

이름 더 보기

4-IODO-2-XYLENE4-Iodo-o-xylene>4-Iodo-1,2-dimethylb4-Iodo-o-xylene, 98+%3,4-Dimethjyliodobenzene3,4-Dimethylphenyl iodide

4-Jod-1.2-dimethylbenzol4-Iodo-1,2-dimethylbenzene #AKOS005145656DS-18274EN300-106932AMY96654-iodo-0-xyleneFT-0618799

데이터베이스 식별자

CAS: 31599-61-8
PubChem CID: 141646
DTXSID: DTXSID00185482
EC Number: 628-993-1
Nikkaji: J267.266I

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 90.6

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: -2.9 °C · -2.9°C (estimate)
끓는 점: 106 · 106-108 °C13 mm Hg(lit.)
밀도: 1.633 g/mL · 1.633 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.603(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~갈색
BRN: 1905729 · 1905729
InChI: InChI=1S/C8H9I/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3
InChIKey: CSFRCLYFVINMBZ-UHFFFAOYSA-N
SMILES: C1(C)=CC=C(I)C=C1C
NIST: 4 · Benzene, 4-iodo-1,2-dimethyl-(31599-61-8)

화학적 성질

clear yellow to red-brown liquid

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 47 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도1-Iodo-3,4-dimethylbenzene (4-iodo-o-xylene, 3,4-dimethyliodobenzene) may be used in the synthesis of the following:3-arylacrylamide3,3-diaryl substituted acrylamide3-arylpropylaminedi-tert-butyl 1-(3,4-dimethylphenyl)hydrazine-1,2-dicarboxylate2,3,7,8-tetramethyldibenzofuran N-(3-(3,4-Dimethylphenyl)-2-phthalimidopropionyl)-2-methylthioaniline

일반 설명1-Iodo-3,4-dimethylbenzene (4-iodo-o-xylene, 3,4-dimethyliodobenzene) is an aryl halide. Its synthesis, NMR and IR spectra has been reported. Its nitration reaction and copper catalyzed trifluoromethylation reaction has been studied.