(2-Hydroxyphenyl)acetic acid (HCID 11970)

이름 및 식별자

우선 이름: (2-Hydroxyphenyl)acetic acid
IUPAC: 2-(2-hydroxyphenyl)acetic acid
현지명: 2-히드록시페닐아세트산
영어명: 2-Hydroxyphenylacetic acid
분자식: C8H8O3
분자량: 152.15

이름 및 동의어

2-Hydroxyphenylacetic acid614-75-5(2-Hydroxyphenyl)acetic acid2-Hydroxybenzeneacetic acidBenzeneacetic acid, 2-hydroxy-(o-Hydroxyphenyl)acetic acidAcetic acid, (o-hydroxyphenyl)-UK3R9Q59AVDTXSID1060633NSC-62000CHEBI:28478o-hydroxyphenyl acetic acid

이름 더 보기

2-하이드록시페닐아세트산2-히드록시페닐아세트산Glycopyrronium Bromide EP Impurity C2-HPAANSC 620006-APA Impurity 6Valine Impurity 732-Hydroxyphenlacetichydroxyphenylacetateo-Hydroxyphenylacetic2-hydroxyphenylacetate

alpha-hydroxy phenylacetic acidRefChem:905769DTXCID3043025210-393-2(2R)-2-oxidanyl-2-phenyl-ethanoic acid2-(2-hydroxyphenyl)acetic acidO-HYDROXYPHENYLACETIC ACIDortho-Hydroxyphenylacetic acid

데이터베이스 식별자

CAS: 614-75-5
PubChem CID: 11970
DTXSID: DTXSID1060633
ChEMBL: CHEMBL240714
ChEBI: CHEBI:28478
UNII: UK3R9Q59AV
EC Number: 210-393-2
Nikkaji: J27.607C

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 144

실험 및 물리화학적 성질

LogP0.85

Solubility44 mg/mL

Melting Point145 - 147 °C

Vapor Pressure0.0000555 [mmHg]

Physical Description · 2건

Beige powder; [Sigma-Aldrich MSDS]

Solid

Collision Cross Section · 2건

130.1 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

130.7 Å² [M-H]-

물리화학적 성질

녹는점: 145 · 145-147 °C (lit.)
끓는 점: 240 °C · 240°C (estimate)
밀도: 1.2143 · 1.2143 (rough estimate)
굴절률: 1.4945 · 1.4945 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 에 용해됨메탄올, 물
물리적 상태: 결정성 분말
산도 계수 (pKa): 4.17 · 4.17±0.10(Predicted)
색상: 라이트 핑크부터 라이트 브라운까지
수용성: 메탄올과 물에 용해됩니다.
BRN: 908000 · 908000
InChI: InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey: CCVYRRGZDBSHFU-UHFFFAOYSA-N
SMILES: C1(CC(O)=O)=CC=CC=C1O
NIST: 2 · Benzeneacetic acid, 2-hydroxy-(614-75-5)
EPA: 2 · 2-Hydroxyphenylacetic acid (614-75-5)

화학적 성질

Off-White Solid

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 (98.7%): 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 75 reports by companies from 8 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.

유해성 정보

Regulatory InformationChemical: Benzeneacetic acid, 2-hydroxy-

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryAn irritant that may cause tissue destruction and serious eye injury on prolonged or repeated exposure; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98.7%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

규제 정보

Regulatory InformationChemical: Benzeneacetic acid, 2-hydroxy-

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29182990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 10-23
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzeneacetic acid, 2-hydroxy-: ACTIVE

응용 분야

용도2-Hydroxyphenylacetic Acid is an intermediate in the synthesis of atenolol and 3,4-dihydroxyphenylacetic acid.

상·하류 제품 정보

상류 원료

2-클로로페닐 초산 옥신-구리

하류 제품

(2-Hydroxy-phenyl)-acetic acid methyl ester Vadimezan 플루옥사스트로빈 2-Aminophenylacetic acid

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

추가 설명 · 1건

정의ChEBI: A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2-hydroxyphenyl group. It is a metabolite of phenylalanine and is excreted in the urine of patients suffering from diseases like phenylketonuria.