3-(4-요오도페닐)프로피온산

3-(4-Iodophenyl)propanoic acid

HCID 233238CAS 1643-29-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)CCc1ccc(I)cc1
InChIKey: SJMRZGIIQIWIFS-UHFFFAOYSA-N
분자식: C9H9IO2
평균 분자량: 276.07 g/mol
단동위원소 질량: 275.96473

이름 및 식별자

우선 이름: 3-(4-Iodophenyl)propanoic acid
IUPAC: 3-(4-iodophenyl)propanoic acid
현지명: 3-(4-요오도페닐)프로피온산
영어명: 3-(4-IODOPHENYL)PROPIONIC ACID
분자식: C9H9IO2
분자량: 276.07

이름 및 동의어

3-(4-iodophenyl)propanoic acidDTXSID90283446RefChem:493163DTXCID70234597674-698-61643-29-43-(4-Iodophenyl)propionic acidbenzenepropanoic acid, 4-iodo-MFCD000175974-Iodo-benzenepropanoic acid4-Iodohydrocinnamic acidNSC31595

이름 더 보기

3-(4-요오도페닐)프로피온산3-(4-Iodphenyl)propionsSre3-(4-Iodphenyl)propionicacid

3-(4-iodophenyl)propanoicacidorb3176125SCHEMBL10071603-(4'-iodophenyl)propanoic acidNSC-31595SBB052832AKOS009159241PS-7248

데이터베이스 식별자

CAS: 1643-29-4
PubChem CID: 233238
DTXSID: DTXSID90283446
EC Number: 674-698-6
Nikkaji: J468.272F

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 140 · 140-142°C
끓는 점: 335.4 · 335.4±17.0 °C(Predicted)
밀도: 1.775 · 1.775±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 4.61 · 4.61±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.