2-Iodotoluene (HCID 5128)

개요

1-iodo-2-methylbenzene is an iodoarene that is 2-methylbenzene substituted by an iodo group at position 1. It is a member of toluenes and an iodoarene.

이름 및 식별자

우선 이름: 2-Iodotoluene
IUPAC: 1-iodo-2-methylbenzene
현지명: 요오드톨루엔
영어명: 2-Iodotoluene
분자식: C7H7I
분자량: 218.04

이름 및 동의어

2-Iodotoluene1-Iodo-2-methylbenzene615-37-2O-IODOTOLUENEo-Tolyl iodideBenzene, 1-iodo-2-methyl-Toluene, o-iodo-o-Methyliodobenzene2-methyliodobenzene2-methylphenyl iodideNSC-3774DTXSID0060646

이름 더 보기

2-아이오도톨루엔요오드톨루엔2-lodotoluene2-IodotoLToluene,o-iodo-2-Iodotoluene98%O iodine toluene2-Iodotoluene 98%

CHEBI:398138OK4H85T07RefChem:855274DTXCID5043055210-422-92-iodo-toluene1-iodo-2-methyl-benzeneIodotoluene

데이터베이스 식별자

CAS: 615-37-2
PubChem CID: 5128
DTXSID: DTXSID0060646
ChEBI: CHEBI:39813
UNII: 8OK4H85T07
EC Number: 210-422-9
Nikkaji: J31.751I

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 70.8

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionClear dark brown liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 11.27 °C · 11.27°C (estimate)
끓는 점: 211 °C · 211 °C(lit.)
밀도: 1.713 g/mL · 1.713 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.608(lit.)
인화점: 194 °F · 194 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 액체
Specific Gravity: 1.713 · 1.713
색상: 맑은 노란색에서 주황색으로
BRN: 1634294 · 1634294
InChI: 1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey: RINOYHWVBUKAQE-UHFFFAOYSA-N
SMILES: Cc1ccccc1I
NIST: 1 · Benzene, 1-iodo-2-methyl-(615-37-2)
EPA: 1 · Benzene, 1-iodo-2-methyl- (615-37-2)

화학적 성질

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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: No longer Valid Update: 01-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29490

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 4-Chlorotoluene and o-Chlorotoluene.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2810
HS 번호: 29036990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37-36/37/39-27
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-iodo-2-methyl-: ACTIVE

응용 분야

용도2-Iodotoluene is used as a reagent in the synthesis of aryl substituted quinones as β-secretase inhibitors.

상·하류 제품 정보

상류 원료

m-아이오도툴루엔

하류 제품

2-메틸스티렌 2-요오드벤조 산 o-브로모톨루엔 오톨루아미드 2-에틸톨루엔97 (2-METHYLPHENOXY)ACETIC ACID 2-메틸페닐붕소산,피나콜에스테르 N,N,2-트라이메틸벤젠아민 2-Iodobenzyl bromide 디-o-톨릴구아니딘

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

추가 설명

정의ChEBI: An iodoarene that is 2-methylbenzene substituted by an iodo group at position 1.

연결된 노트

불러오는 중…

요오드톨루엔

기본 정보

개요