1-tert-Butyl-4-iodobenzene

HCID 142029

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 35779-04-5
표준 SMILES: CC(C)(C)c1ccc(I)cc1
InChIKey: WQVIVQDHNKQWTM-UHFFFAOYSA-N
분자식: C10H13I
평균 분자량: 260.11 g/mol
단동위원소 질량: 260.00619842

이름 및 식별자

우선 이름: 1-tert-Butyl-4-iodobenzene
IUPAC: 1-tert-butyl-4-iodobenzene
영어명: 1-tert-butyl-4-iodobenzene
분자식: C10H13I
분자량: 260.11

이름 및 동의어

1-tert-butyl-4-iodobenzenebenzene, 1-(1,1-dimethylethyl)-4-iodo-RefChem:436752InChI=1/C10H13I/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H35779-04-51-(tert-butyl)-4-iodobenzene4-tert-Butyliodobenzene4-t-ButyliodobenzeneMFCD000523394-Iodo-1-Tert-butylbenzene1-tert-Butyl-4-iodo-benzene2-(4'-iodophenyl)-2-methylpropane

이름 더 보기

-4-iodobenzeneBUTTPARK 44\03-824-iodo-tert-butylbenzene4-tert-Butylphenyl iodide4-tert-Butyl-1-iodobenzene4-tert-Butyliodobenzene 98%1-tert-Butyl-4-iodobenzene,97%

1-iodo-4-tert-butylbenzene4-(tert-butyl)-1-iodobenzene4-t-butyl-iodobenzenep-iodo-tert-butylbenzene4-tert.-butyl-iodo-benzeneSCHEMBL301574-tert-Butyliodobenzene, 98%SCHEMBL27802212

데이터베이스 식별자

CAS: 35779-04-5
PubChem CID: 142029
DTXSID: DTXSID20189306
EC Number: 609-176-9
Nikkaji: J323.584J

물성

구조 계산 물성

XLogP: 5.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 115

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 78 °C · 78°C (estimate)
끓는 점: 140 °C · 140 °C
밀도: 1.468 g/mL · 1.468 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.57(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Yellow
Specific Gravity: 1.468 · 1.468
BRN: 1931810 · 1931810
InChI: InChI=1S/C10H13I/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChIKey: WQVIVQDHNKQWTM-UHFFFAOYSA-N
SMILES: C1(C(C)(C)C)=CC=C(I)C=C1

화학적 성질

Clear orange to red liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2A (100%)

안전 데이터

wgk: 3
HS 번호: 29039990
risk_code: 36
hazard_code: Xi
safety_code: 26-36
위험 등급: LIGHT SENSITIVE
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

일반 설명4-tert-Butyliodobenzene is an electron-rich aryl iodide. Heck reaction between 2-methylprop-2-en-1-ol and 4-tert-butyliodobenzene catalyzed by ionic liquids has been studied. It participates in the one-pot Heck-reductive amination reaction pathway during the synthesis of fungicide fenpropimorph.

상·하류 제품 정보

상류 원료

하류 제품

Benzene, 1-(1,1-dimethylethyl)-4-(phenylmethyl)-1-TERT-BUTYL-4-니트로벤젠 4-tert-Butyldiphenyl sulfide 4,4'-DI-TERT-부틸디페닐메탄 4,4'-Di-tert-butylbiphenyl 디페닐메탄 Ethyl-2,2-difluoro-2-(4-tert-butylphenyl)acetate

공급사100 곳

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

화합물 노트

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