4-페녹시헤피락시산

4-Phenoxyphenylacetic acid

HCID 239077

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6328-74-1
표준 SMILES: O=C(O)Cc1ccc(Oc2ccccc2)cc1
InChIKey: VARVNFDGRLLTCI-UHFFFAOYSA-N
분자식: C14H12O3
평균 분자량: 228.24 g/mol
단동위원소 질량: 228.07864424

이름 및 식별자

우선 이름: 4-Phenoxyphenylacetic acid
IUPAC: 2-(4-phenoxyphenyl)acetic acid
현지명: 4-페녹시헤피락시산
영어명: 4-PHENOXYPHENYLACETIC ACID
분자식: C14H12O3
분자량: 228.24

이름 및 동의어

4-Phenoxyphenylacetic acidRefChem:526291626-215-56328-74-12-(4-Phenoxyphenyl)acetic acid(4-phenoxyphenyl)acetic acid(4-phenoxy-phenyl)-acetic acidMFCD000797794-PhenoxyphenylaceticAcid4-(phenoxy)phenylacetic acidp-Phenyloxyphenylacetic Acid4-phenoxy-phenylacetic acid

이름 더 보기

4-페녹시헤피락시산NSC 43857RARECHEM AL BO 15214-PHENOXYPHENYLACETICp-Phenoxyphenylacetic Acid4-Phenoxybenzeneacetic Acid4-Phenoxyphenylethanoic acid4-Phenoxyphenylacetic acid 97%

(4'-phenoxyphenyl)acetic acid(4phenoxy-phenyl)-acetic acidAKOS002392972Benzeneacetic acid, 4-phenoxy-NSC43857SCHEMBL1145770DTXSID809793614-Phenoxyphenylacetic acid, 97%

데이터베이스 식별자

CAS: 6328-74-1
PubChem CID: 239077
DTXSID: DTXSID80979361
EC Number: 626-215-5

물성

구조 계산 물성

XLogP: 3
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 238

물리화학적 성질

녹는점: 72 · 72-79 °C
끓는 점: 382 ℃ · 382℃
밀도: 1.217 · 1.217
굴절률: 1.58 · 1.5800 (estimate)
인화점: 146 ℃ · 146℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 4.34 · 4.34±0.10(Predicted)
InChI: 1S/C14H12O3/c15-14(16)10-11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
InChIKey: VARVNFDGRLLTCI-UHFFFAOYSA-N
SMILES: OC(=O)Cc1ccc(Oc2ccccc2)cc1

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)

안전 데이터

wgk: 2
ridadr: UN 3077 9/PG 3
HS 번호: 29189900
risk_code: 22-50
hazard_code: Xn,N,Xi
safety_code: 60-61
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-PHENOXYPHENYLACETIC ACID is an arylaliphatic acid used in the preperation of protential inhibitors of collagen-induced aggregation of human thrombocytes. p-Phenyloxyphenylacetic Acid is a predicted metabolite of 6-Amino-4-(4-phenoxyphenylethylamino)quinazoline.