기본 정보
- CAS
10463-20-4- 표준 SMILES
O=C(O)Cc1ccc(O)c([N+](=O)[O-])c1- InChIKey
QBHBHOSRLDPIHG-UHFFFAOYSA-N- 분자식
- C8H7NO5
- 평균 분자량
- 197.14 g/mol
- 단동위원소 질량
- 197.03242232
이름 및 식별자
- 우선 이름
- 4-Hydroxy-3-nitrophenylacetic acid
- IUPAC
- 2-(4-hydroxy-3-nitrophenyl)acetic acid
- 현지명
- 4-히드록시-3-니트로페닐아세트산
- 영어명
- 4-Hydroxy-3-nitrophenylacetic acid
- 분자식
- C8H7NO5
- 분자량
- 197.14
이름 및 동의어
4-Hydroxy-3-nitrophenylacetic acid2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID(4-hydroxy-3-nitrophenyl)acetic acidCHEBI:546274NO2HPARefChem:523850233-948-010463-20-4MFCD00007122Benzeneacetic acid, 4-hydroxy-3-nitro-3-Nitro-4-hydroxy phenylacetic acid4-hydroxy-3-nitrobenzeneacetic acid
이름 더 보기
4-히드록시-3-니트로페닐아세트산4-하이드록시-3-니트로페닐아세트산TIMTEC-BB SBB0077853-NITRO-4-HYDROXYPHENYLACETIC ACID4-Hydroxy-3-nitrophenylaceticAcid>Benzeneacetic acid, 4-hydroxy-3-nitro-4-Hydroxy-3-nitrophenylacetic acid,99%4-Hydroxy-3-nitrophenylacetic acid 98%4-Hydroxy-3-nitrophenylacetic acid, 10 mM in DMSO
Epitope ID:158629SCHEMBL231627CHEMBL501822orb1227068orb1307674SCHEMBL2710180HMS3604M073-nitro 4-hydroxyphenyl acetic acid
데이터베이스 식별자
- CAS
10463-20-4- PubChem CID
- 447364
- ChEMBL
CHEMBL501822- ChEBI
CHEBI:546274- EC Number
- 233-948-0
- Nikkaji
- J212.405J
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 236
물리화학적 성질
- 녹는점
- 146 · 146-148 °C (lit.)
- 끓는 점
- 334.23 °C · 334.23°C (rough estimate)
- 밀도
- 1.5023 · 1.5023 (rough estimate)
- 굴절률
- 1.57 · 1.5700 (estimate)
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 5 %, · 에탄올: 가용성 5%, 투명, 노란색에서 주황색
- 물리적 상태
- 수정 같은
- 산도 계수 (pKa)
- 4.25 · 4.25±0.10(Predicted)
- 색상
- 노란색
- BRN
- 2696044 · 2696044
- InChI
- 1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)
- InChIKey
- QBHBHOSRLDPIHG-UHFFFAOYSA-N
- SMILES
- OC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O
화학적 성질
yellow crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): 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 46 reports by companies from 6 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)
안전 데이터
- wgk
- 3
- tsca
- T
- HS 번호
- 29182900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 등급
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도4-Hydroxy-3-nitrophenylacetic acid was used in the synthesis of 4-hydroxy-3-nitrophenylacetyl caproic acid.
일반 설명4-Hydroxy-3-nitrophenylacetic acid enhances the ice-nucleation activity of Xanthomonas campestris.
상·하류 제품 정보
상류 원료
하류 제품
공급사97 곳
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Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
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上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
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