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Salicylhydroxamic Acid

HCID 66644
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
89-73-6
표준 SMILES
O=C(NO)c1ccccc1O
InChIKey
HBROZNQEVUILML-UHFFFAOYSA-N
분자식
C7H7NO3
평균 분자량
153.14 g/mol
단동위원소 질량
153.04259308

개요

Salicylhydroxamic acid is a hydroxamic acid that is N-hydroxybenzamide carrying a phenolic hydroxy group at position 2. It has a role as an antibacterial drug, a trypanocidal drug, an EC 3.5.1.5 (urease) inhibitor and an EC 1.11.2.2 (myeloperoxidase) inhibitor. It is a hydroxamic acid and a member of phenols.

이름 및 식별자

우선 이름
Salicylhydroxamic Acid
IUPAC
N,2-dihydroxybenzamide
영어명
Salicylhydroxamic acid
분자식
C7H7NO3
분자량
153.14

이름 및 동의어

Salicylhydroxamic acidN,2-Dihydroxybenzamide89-73-62-Hydroxybenzohydroxamic acidSHAMSalicylohydroximic acid2-Hydroxybenzhydroxamic acidO-Hydroxybenzohydroxamic acidDTXSID50753652-hydroxybenzenecarbohydroxamic acidNSC-50888Q07182D0T
이름 더 보기
shansc5088NSC 193440AKOS BC-3099SalicylhydroxamicSalicylamide oximeIFLAB-BB F1918-0014alicylhydroxami acid
NSC-193440CHEBI:45615RefChem:884393DTXCID7048665201-934-3Salicylohydroxamic acidBenzamide, N,2-dihydroxy-SalicylhydroxaMicacid

데이터베이스 식별자

CAS
89-73-6
PubChem CID
66644
DTXSID
DTXSID5075365
ChEMBL
CHEMBL309339
ChEBI
CHEBI:45615
UNII
8Q07182D0T
EC Number

물성

구조 계산 물성

XLogP
0.9
극성 표면적
69.6 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
11
형식 전하
0
복잡도
149

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionSolid; [Merck Index] Off-white powder; [Alfa Aesar MSDS]
Collision Cross Section124.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5075365]

물리화학적 성질

녹는점
177 °C · 177 °C (dec.) (lit.)
끓는 점
276.03 °C · 276.03°C (rough estimate)
밀도
1.3585 · 1.3585 (rough estimate)
굴절률
1.55 · 1.5500 (estimate)
저장 조건
Sealed in dry,Room Temperature
물리적 상태
미세 결정성 분말
산도 계수 (pKa)
pK (25°) 4.19
색상
베이지 핑크
수용성
물에 용해됩니다.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H312+H332 (38.4%): Harmful in contact with skin or if inhaled [Warning Acute toxicity, dermal; acute toxicity, inhalation]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazards SummaryA skin and strong eye irritant; Suspected mutagen; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (91.8%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
VO6870000
HS 번호
29242990
risk_code
20/21/22-36/37/38-40
hazard_code
Xn
safety_code
22-26-36-24/25
Hazard Classifications
Acute Tox. 4 DermalCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 3건

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.

Substances that are destructive to protozoans.

Agents destructive to the protozoal organisms belonging to the suborder TRYPANOSOMATINA.

용도 및 제조

UsesUsed as a complexing agent; [Merck Index]
General Manufacturing InformationBenzamide, N,2-dihydroxy-: ACTIVE
응용 분야 · 1건

용도Salicylhydroxamic acid is a collector with efficient chelating effect on rare metal oxide minerals. It is used in rare metal beneficiation and has the advantages of good selectivity and strong collecting power. Salicylhydroxamic acid is mainly used as a complexing agent or extractant for rare earth ore, copper oxide ore, lead-zinc oxide ore, gold ore, kaolin, etc., as well as organic synthesis intermediates.

제조 방법 · 1건

The synthesis of salicylhydroxamic acid involved a two-step process. In the first step, methyl salicylate was prepared by esterifying salicylic acid with methanol using 28g (0.2 mol) of salicylic acid, 81 ml of methanol, and 8 ml of concentrated sulfuric acid. In the second step, hydroxylamine was coupled with the methyl salicylate. 13.9 g (0.2mol) of hydroxylamine was mixed with 200 ml of 10% sodium hydroxide solution and cooled. To this, 152.3g (0.1mol) of methyl salicylate was added in small portions with vigorous shaking after each addition to ensure complete dissolution. The mixture was allowed to stand for 36 hours, then acidified with 2M sulphuric acid and cooled. The precipitate was filtered, recrystallized from hot water containing a drop of acetic acid, recooled, and filtered. The yield of white precipitate collected and weighed was 14g of salicylhydroxamic acid.Preparation and Characterization of Salicylhydroxamic acid and its Complexes with Iron (III), Cobalt (II) and Manganese (II)

관련 반응

20건
반응 기록 만들기
HRID 342838 반응식
HRID 342838생성물로uspto-grants-1999_01
HRID 356753 반응식
HRID 356753생성물로uspto-grants-1998_11
HRID 362584 반응식
HRID 362584생성물로uspto-grants-1999_02
HRID 363161 반응식
HRID 363161생성물로uspto-grants-1999_02
HRID 670092 반응식
HRID 670092생성물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 985184 반응식
HRID 985184생성물로uspto-grants-2005_03
HRID 991140 반응식
HRID 991140생성물로uspto-grants-2002_10
HRID 1168858 반응식
HRID 1168858반응물로uspto-grants-2003_09
1 / 3 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
201-934-3
Nikkaji
J5.157H
Merck
14 · 14,8331
BRN
1210520 · 1210520
안정성
안정적인. 강염기, 강산화제와 호환되지 않습니다. 타기 쉬운.
화장품 원료 기능
킬레이팅피부 컨디셔닝
InChI
InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)
InChIKey
HBROZNQEVUILML-UHFFFAOYSA-N
SMILES
C(NO)(=O)C1=CC=CC=C1O
EPA
2 · N,2-Dihydroxybenzamide (89-73-6)
화학적 성질 · 1건

It is a white needle crystal or off-white powder with a slow-heating melting point of 168°C. It is soluble in alcohol and ether and can be sublimated. When exposed to air, it progressively turns red. It is synthesized by combining methyl salicylate and hydroxylamine hydrochloride with sodium hydroxide, followed by acidification.

상·하류 제품 정보

상류 원료

살리실산 메틸염산 히드록실아민수산화나트륨살리실 알데히드메나디온트리에틸아민물테트라하이드로푸란에틸알코올질산 은

하류 제품

벤조[D]이속사졸-3-OL2(3H)-벤즈옥사졸론

공급사100 곳

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추가 설명 · 1건

정의ChEBI: Salicylhydroxamic acid is a hydroxamic acid that is N-hydroxybenzamide carrying a phenolic hydroxy group at position 2. It has a role as an antibacterial drug, a trypanocidal drug, an EC 3.5.1.5 (urease) inhibitor and an EC 1.11.2.2 (myeloperoxidase) inhibitor. It is a member of phenols and a hydroxamic acid.