CAS 5341-58-2 3-Hydroxy-2-naphthoic acid hydrazide (HCID 72699)

기본 정보

CAS: 5341-58-2
표준 SMILES: NNC(=O)c1cc2ccccc2cc1O
InChIKey: FDNAQCWUERCJBK-UHFFFAOYSA-N
분자식: C11H10N2O2
평균 분자량: 202.21 g/mol
단동위원소 질량: 202.07422756

이름 및 식별자

우선 이름: 3-Hydroxy-2-naphthoic acid hydrazide
IUPAC: 3-hydroxynaphthalene-2-carbohydrazide
현지명: 3-히드록시-2-나프토익 하이드라지드
영어명: 3-HYDROXY-2-NAPHTHOIC ACID HYDRAZIDE
분자식: C11H10N2O2
분자량: 202.21

이름 및 동의어

3-Hydroxy-2-naphthohydrazide5341-58-23-Hydroxy-2-naphthoic acid hydrazide2-Naphthalenecarboxylic acid, 3-hydroxy-, hydrazide2-Naphthoic acid, 3-hydroxy-, hydrazide3-Hydroxy naphthoic acid hydrazideNSC-2117NSC-49198XF75J6Z7L4DTXSID4063797RefChem:502261DTXCID5041431

이름 더 보기

3-히드록시-2-나프토익하이드라지드TIMTEC-BB SBB003522LABOTEST-BB LT000536093-HYDROXY-2-NAPHTHYDRAZIDE3-Hydroxy-2-naphtphydrazide3-Hydroxy-2-naphtohydrazide3-Hydroxy-2-naphthylhydrazideBETA-HYDROXYNAPHTHOIC HYDRAZIDE

226-282-73-hydroxynaphthalene-2-carbohydrazide2-Hydroxy-3-naphthoic acid hydrazide3-Hydroxy-2-naphthoic hydrazideMFCD000040973-Hydroxy-2-naphthoylhydrazine2-Hydroxy-3-naphthoylhydrazineNSC 2117

데이터베이스 식별자

CAS: 5341-58-2
PubChem CID: 72699
DTXSID: DTXSID4063797
ChEMBL: CHEMBL1370927
UNII: XF75J6Z7L4
EC Number: 226-282-7
Nikkaji: J124.076E

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 75.4 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 245

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Hydrazides

Physical DescriptionOff-white powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 205 · 205-208 °C (lit.) 205-208 °C
끓는 점: 340.32 °C · 340.32°C (rough estimate)
밀도: 1.352 · 1.352
굴절률: 1.53 · 1.5300 (estimate)
저장 조건: RT, stored under nitrogen
물리적 상태: 가루
산도 계수 (pKa): 8.86 · 8.86±0.40(Predicted)
색상: 베이지색
BRN: 395153 · 395153
InChI: InChI=1S/C11H10N2O2/c12-13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)14/h1-6,14H,12H2,(H,13,15)
InChIKey: FDNAQCWUERCJBK-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC=C2)=CC(O)=C1C(NN)=O
EPA: 2 · 2-Naphthalenecarboxylic acid, 3-hydroxy-, hydrazide (5341-58-2)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Hydrazine. See 2-Naphthol.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29280090
risk_code: 36/37/38
hazard_code: Xi,C
safety_code: 26-36
위험 등급: IRRITANT
F 고인화성물질: 8-9-23
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Naphthalenecarboxylic acid, 3-hydroxy-, hydrazide: INACTIVE

응용 분야 · 1건

용도3-Hydroxy-2-naphthoic hydrazide may be used to synthesize the following 2-(alkyl/arylamino)-5-(3-hydroxy-2-naphthyl)-1,3,4-thiadiazoles:2-ethylamino-5-(3-hydroxy-2-naphthyl)-1,3,4-thiadiazole2-phenethylamino-5-(3-hydroxy-2-naphthyl)-1,3,4-thiadiazole2-phenylamino-5-(3-hydroxy-2-naphthyl)-1,3,4-thiadiazole2-(p-bromophenylamino)-5-(3-hydroxy-2-naphthyl)-1,3,4-thiadiazole2-(p-chlorophenylamino)-5-(3-hydroxy-2-naphthyl)-1,3,4-thiadiazole 2-(p-fluorophenylamino)-5-(3-hydroxy-2-naphthyl)-1,3,4-thiadiazole2-(m-fluorophenylamino)-5-(3-hydroxy-2-naphthyl)-1,3,4-thiadiazole2-(p-methoxyphenylamino)-5-(3-hydroxy-2-naphthyl)-1,3,4-thiadiazole2-(p-methylphenylamino)-5-(3-hydroxy-2-naphthyl)-1,3,4-thiadiazole2-(m-trifluoromethylphenylamino)-5-(3-hydroxy-2-naphthyl)-1,3,4-thiadiazoleIt may also be employed for the synthesis of 3-hydroxy-2-naphthaldehyde.