4-Iodophenylacetic acid

HCID 137214CAS 1798-06-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)Cc1ccc(I)cc1
InChIKey: FJSHTWVDFAUNCO-UHFFFAOYSA-N
분자식: C8H7IO2
평균 분자량: 262.04 g/mol
단동위원소 질량: 261.94907746

개요

a radiopharmaceutical

이름 및 식별자

우선 이름: 4-Iodophenylacetic acid
IUPAC: 2-(4-iodophenyl)acetic acid
영어명: 4-Iodophenylacetic acid
분자식: C8H7IO2
분자량: 262.04

이름 및 동의어

4-Iodophenylacetic acid1798-06-7DTXSID10170864RefChem:524259DTXCID9093355681-569-82-(4-iodophenyl)acetic acid(4-iodophenyl)acetic acidBenzeneacetic acid, 4-iodo-MFCD000829854-IodophenylaceticacidP-iodophenylacetic acid

이름 더 보기

4-IodophenylaceticRARECHEM AL BO 05924-Iodobenzeneaceticacid2-(4-iodophenyl)aceticaci4-Iodophenylacetic acid,97%2-(4-iodophenyl)ethanoic acid

(4-Iodo-phenyl)-acetic acid4-Iodoohenylacetic acid2-(4-iodophenyl)aceticacidSCHEMBL166723NSC4614NSC 4614NSC-46144-iodophenylacetic acid, AldrichCPR

데이터베이스 식별자

CAS: 1798-06-7
PubChem CID: 137214
DTXSID: DTXSID10170864
EC Number: 681-569-8、920-826-3
Nikkaji: J474.384I

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

물리화학적 성질

녹는점: 134 · 134-136°C
끓는 점: 323.7 · 323.7±17.0 °C(Predicted)
밀도: 1.885 · 1.885±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 1 · pK1:4.178 (25°C)
물리적 상태: 고체
색상: 하얀색
수용성: 물에 불용성.
BRN: 1940558 · 1940558

화학적 성질

White to off-white crystalline powder

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 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

안전 데이터

HS 번호: 2916399090
risk_code: 36/37/38-41
hazard_code: Xi
safety_code: 26-36/37/39-39
위험 등급: IRRITANT, LIGHT SENSITIVE

화학 및 산업

응용 분야

용도4-Iodophenylacetic acid, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used in suzuki coupling reaction transport.