기본 정보
- CAS
17194-82-0- 표준 SMILES
NC(=O)Cc1ccc(O)cc1- InChIKey
YBPAYPRLUDCSEY-UHFFFAOYSA-N- 분자식
- C8H9NO2
- 평균 분자량
- 151.16 g/mol
- 단동위원소 질량
- 151.06332853
개요
2-(4-Hydroxyphenyl)acetamide is a member of acetamides.
이름 및 식별자
- 우선 이름
- (4-Hydroxyphenyl)acetamide
- IUPAC
- 2-(4-hydroxyphenyl)acetamide
- 현지명
- 4-히드록시페닐아세트아미드
- 영어명
- 4-Hydroxyphenylacetamide
- 분자식
- C8H9NO2
- 분자량
- 151.16
이름 및 동의어
17194-82-04-Hydroxybenzeneacetamide(p-Hydroxyphenyl)acetamidep-(Carbamoylmethyl)phenol2-(p-Hydroxyphenyl)acetamide(4-Hydroxyphenyl)acetamide4-(Hydroxyphenyl)acetamideAcetamide, 2-(p-hydroxyphenyl)-0HY0N4ITN4NSC-187193DTXSID4066171RefChem:523998
이름 더 보기
4-히드록시페닐아세트아미드4-하이드록시페닐아세트아마이드para-HydroxyphenylacetamidePHAA500G1KG5KGAtenlol Imp AATENOLOL IMP ACompound Fr14145Atenlol Impurity AATENOLOL IMPURITY ALABOTEST-BB LT00848172HydroxyphenylacetaMide
DTXCID6035497241-235-04-Hydroxyphenylacetamide2-(4-Hydroxyphenyl)acetamidep-HydroxyphenylacetamideBenzeneacetamide, 4-hydroxy-Atenolol EP Impurity AMFCD00017145
데이터베이스 식별자
- CAS
17194-82-0- PubChem CID
- 86986
- DTXSID
DTXSID4066171- ChEMBL
CHEMBL447310- ChEBI
CHEBI:194828- UNII
- 0HY0N4ITN4
- EC Number
- 241-235-0
- Nikkaji
- J42.257F
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 63.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 139
물리화학적 성질
- 녹는점
- 176 · 176-178 °C (lit.)
- 끓는 점
- 273.17 °C · 273.17°C (rough estimate)
- 밀도
- 1.2023 · 1.2023 (rough estimate)
- 굴절률
- 1.581 · 1.5810 (estimate)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 미세 결정성 분말
- 산도 계수 (pKa)
- 9.99 · 9.99±0.26(Predicted)
- 색상
- 베이지색
- 수용성
- 녹는
- BRN
- 2085984 · 2085984
- InChI
- 1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
- InChIKey
- YBPAYPRLUDCSEY-UHFFFAOYSA-N
- SMILES
- NC(=O)Cc1ccc(O)cc1
- NIST
- 4 · 4-Hydroxyphenylacetamide(17194-82-0)
- EPA
- 4 · Benzeneacetamide, 4-hydroxy- (17194-82-0)
화학적 성질
beige fine crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (94.2%): 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 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 19-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22972
Hazard Classes and CategoriesSkin Irrit. 2 (94.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AC3851500
- HS 번호
- 29242990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-24/25-37/39
- 기존화학 물질
- KE-20791
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzeneacetamide, 4-hydroxy-: INACTIVE
응용 분야
용도4-(Hydroxyphenyl)acetamide is used as an intermediate for the synthesis of Atenolol (A790075) and various other organic compounds and pharmaceuticals. It is a process impurity for Atenolol (A790075)
상·하류 제품 정보
상류 원료
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