2-메톡시페닐아세트산

2-Methoxyphenylacetic acid

HCID 7134CAS 93-25-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccccc1CC(=O)O
InChIKey: IVEWTCACRDEAOB-UHFFFAOYSA-N
분자식: C9H10O3
평균 분자량: 166.17 g/mol
단동위원소 질량: 166.06299418

이름 및 식별자

우선 이름: 2-Methoxyphenylacetic acid
IUPAC: 2-(2-methoxyphenyl)acetic acid
현지명: 2-메톡시페닐아세트산
영어명: 2-Methoxyphenylacetic acid
분자식: C9H10O3
분자량: 166.17

이름 및 동의어

2-Methoxyphenylacetic acid93-25-4Benzeneacetic acid, 2-methoxy-(2-Methoxyphenyl)acetic acidEINECS 202-231-4NSC 110708DTXSID0059083RefChem:87940(oMethoxyphenyl)acetic acidBenzeneacetic acid, 2methoxyAcetic acid, (omethoxyphenyl)DTXCID1048833

이름 더 보기

2-메톡시페닐아세트산Ortho2-(2-methoxyphenyl)acetateNSC 162572-TOLYLACETIC ACIDRARECHEM AL BO 0116RARECHEM AL BO 0118o-Anisylacetic acid.2-Methoxyphenylacetio-Methoxy-α-toluic acid

Acetic acid, (omethoxyphenyl) (8CI)202-231-4InChI=1/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11IVEWTCACRDEAOB-UHFFFAOYSA-N2-(2-methoxyphenyl)acetic acid2-methoxyphenylaceticacidAcetic acid, (o-methoxyphenyl)-(o-Methoxyphenyl)acetic acid

데이터베이스 식별자

CAS: 93-25-4
PubChem CID: 7134
DTXSID: DTXSID0059083
ChEMBL: CHEMBL5399335
UNII: DWF2D897KB
EC Number: 202-231-4
Nikkaji: J100.253H

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 156

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids

SpringerMaterials PropertiesChemical shift

Physical DescriptionWhite powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 122 · 122-125 °C (lit.)
끓는 점: 254.38 °C · 254.38°C (rough estimate)
밀도: 1.1708 · 1.1708 (rough estimate)
굴절률: 1.5101 · 1.5101 (estimate)
인화점: 117 °C · 117°C (External MSDS)
저장 조건: 30 °C · Store below +30°C.
용해도: 9.2 g/L · 9.2g/L
물리적 상태: 결정성 분말
산도 계수 (pKa): 4.14 · 4.14±0.10(Predicted)
색상: 흰색에서 약간 핑크색 크림색
수용성: 녹는
BRN: 2047573 · 2047573
InChI: 1S/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey: IVEWTCACRDEAOB-UHFFFAOYSA-N
SMILES: COc1ccccc1CC(O)=O
LogP: 1.42 · 1.420 (est)
NIST: 2 · Benzeneacetic acid, 2-methoxy-(93-25-4)
EPA: 2 · Benzeneacetic acid, 2-methoxy- (93-25-4)

화학적 성질

WHITE TO SLIGHTLY PINK-CREAM CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.9%): 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzeneacetic acid, 2-methoxy-

Benzeneacetic acid, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Phenylacetic acid.

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29189090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzeneacetic acid, 2-methoxy-: ACTIVE

응용 분야

용도2-Methoxyphenylacetic acid is used as pharmaceutical intermediate.

일반 설명The cytotoxic potential of 2-methoxyphenylacetic acid was studied.

상·하류 제품 정보

하류 제품

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]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

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