5-(4-클로로페닐)-2-퓨로산

5-(4-Chlorophenyl)-2-furoic acid

HCID 726693CAS 41019-45-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1ccc(-c2ccc(Cl)cc2)o1
InChIKey: XIPQHWUSDHTXOO-UHFFFAOYSA-N
분자식: C11H7ClO3
평균 분자량: 222.62 g/mol
단동위원소 질량: 222.00837176

개요

5-(4-Chlorophenyl)-2-furoic acid is a furoic acid.

이름 및 식별자

우선 이름: 5-(4-Chlorophenyl)-2-furoic acid
IUPAC: 5-(4-chlorophenyl)furan-2-carboxylic acid
현지명: 5-(4-클로로페닐)-2-퓨로산
영어명: 5-(4-Chlorophenyl)-2-furoic acid
분자식: C11H7ClO3
분자량: 222.62

이름 및 동의어

5-(4-Chlorophenyl)-2-furoic acid41019-45-8DTXSID10352441RefChem:299878DTXCID80303506628-208-25-(4-chlorophenyl)furan-2-carboxylic Acid5-(4-Chloro-phenyl)-furan-2-carboxylic acidMFCD002165872-Furancarboxylic acid, 5-(4-chlorophenyl)-CHEMBL197430Acid, 62

이름 더 보기

5-(4-클로로페닐)-2-퓨로산AKOS BAR-0043ASISCHEM T31175IFLAB-BB F0722-7390ART-CHEM-BB B025312RARECHEM AL BO 1471TIMTEC-BB SBB0033385-(4-chlorophenyl)-2-acid5-(4-Chlorphenyl)-furan-2-carbonsure5-(4-Chlorophenyl)-2-furoic acid 97%

5-(p-chlorophenyl)furoic acid5-(4-chlorophenyl)furoic acidorb3030787SCHEMBL12862185-(p-Chlorophenyl)-2furoic acidCHEBI:194673XIPQHWUSDHTXOO-UHFFFAOYSA-NBDBM773771

데이터베이스 식별자

CAS: 41019-45-8
PubChem CID: 726693
DTXSID: DTXSID10352441
ChEMBL: CHEMBL197430
ChEBI: CHEBI:194673
EC Number: 628-208-2
Nikkaji: J1.044.107B

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 50.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 236

물리화학적 성질

녹는점: 198 · 198-201 °C (dec.)(lit.)
끓는 점: 394.4 · 394.4±32.0 °C(Predicted)
밀도: 1.374 · 1.374±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 3 · 3.00±0.10(Predicted)
물리적 상태: 가루
색상: 옅은 갈색
InChI: 1S/C11H7ClO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey: XIPQHWUSDHTXOO-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(o1)-c2ccc(Cl)cc2

화학적 성질

Pale brown 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29321900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

일반 설명5-(4-Chlorophenyl)-2-furoic acid (5-(4-chlorophenyl)-2-furancarboxylic acid) is a 5-aryl-2-furancarboxylic acid. It has been synthesized by oxidation of the corresponding furaldehyde with silver nitrate and sodium hydroxide. It serves as an intermediate for the synthesis of 5-(5-aryl-2-furyl)-tetrazol-1-ylacetic acids, which are employed in the synthesis of semisynthetic cephalosporines.