2-요오드페놀

2-Iodophenol

HCID 10784CAS 30587-23-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Oc1ccccc1I
InChIKey
KQDJTBPASNJQFQ-UHFFFAOYSA-N
분자식
C6H5IO
평균 분자량
220.01 g/mol
단동위원소 질량
219.93851278

개요

2-iodophenol is an iodophenol and a 2-halophenol.

이름 및 식별자

우선 이름
2-Iodophenol
IUPAC
2-iodophenol
현지명
2-요오드페놀
영어명
2-Iodophenol
분자식
C6H5IO
분자량
220.01

이름 및 동의어

2-IODOPHENOL533-58-4o-IodophenolPhenol, 2-iodo-DTXSID5052175F27L34A8B9NSC-9245CHEBI:16706ortho-iodophenolRefChem:855273DTXCID5030745208-569-9
이름 더 보기
2-요오드페놀DK807NSC 92452-iodo-phenoo-iodo-pheno2-lodophenol
Phenol, o-iodo-2-iodanylphenolo-Jodphenolo-Jodfenol2-JodfenolMFCD00013963Iodophenol2-Jodphenol

데이터베이스 식별자

CAS
30587-23-6、533-58-4
PubChem CID
10784
DTXSID
DTXSID5052175
ChEMBL
CHEMBL225564
ChEBI
CHEBI:16706
UNII
F27L34A8B9
EC Number
208-569-9
Nikkaji
J53.758F

물성

구조 계산 물성

XLogP
2.6
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
8

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phenols
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Vapor Pressure0.00616 [mmHg]
Physical DescriptionSolid; [Merck Index] Pink or yellow crystalline powder; [Acros Organics MSDS]
Collision Cross Section121.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5052175]

물리화학적 성질

녹는점
37 · 37-40 °C (lit.)
끓는 점
186 · 186-187 °C/160 mmHg (lit.)
밀도
1.947 g/mL · 1.947 g/mL at 25 °C (lit.)
인화점
230 °F · >230 °F
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)

화학적 성질

colorless needle-like crystals or Pale Yellow Low Melting Solid. Slightly soluble in water, easily soluble in organic solvents such as ethanol and ether.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Phenol, 2-iodo-

2-Iodophenol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [Acros Organics MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (87.2%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
SL5500000
HS 번호
29081000
risk_code
20/21/22-36/37/38
hazard_code
Xn,Xi

화학 및 산업

용도 및 제조

UsesModel for radioiodinated proteins. [ChemIDplus]
General Manufacturing InformationPhenol, 2-iodo-: ACTIVE

응용 분야

일반 설명Rapid palladium-catalyzed carbonylative cyclization reactions of 2-iodophenol with various alkyne under microwave irradiation using Mo(CO)6 as the CO source has been investigated.

제조 방법 · 1건

synthesis of 2-iodophenol: phenol (1a) to react with 0.5 equivalent of iodine and 1 equivalent of hydrogen peroxide in water at room temperature for 24 h, 2,6-diiodophenol (2a) and 2-iodophenol (3) were isolated in yields of 21 and 49%, respectively.

상·하류 제품 정보

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]
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]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

관련 반응

102건
반응 기록 만들기

연결된 노트

불러오는 중…