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

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Basic information

CAS: 5341-58-2
Standard SMILES: NNC(=O)c1cc2ccccc2cc1O
InChIKey: FDNAQCWUERCJBK-UHFFFAOYSA-N
Molecular formula: C11H10N2O2
Average molar mass: 202.21 g/mol
Monoisotopic mass: 202.07422756

Names & identifiers

Preferred name: 3-Hydroxy-2-naphthoic acid hydrazide
IUPAC: 3-hydroxynaphthalene-2-carbohydrazide
English name: 3-HYDROXY-2-NAPHTHOIC ACID HYDRAZIDE
Molecular formula: C11H10N2O2
Molecular weight: 202.21

Names & synonyms

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

Show more names

TIMTEC-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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 75.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 245

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Hydrazides

Physical DescriptionOff-white powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 205 · 205-208 °C (lit.) 205-208 °C
Boiling point: 340.32 °C · 340.32°C (rough estimate)
Density: 1.352 · 1.352
refractive index: 1.53 · 1.5300 (estimate)
storage temp.: RT, stored under nitrogen
form: Powder
pka: 8.86 · 8.86±0.40(Predicted)
color: Beige
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

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 8-9-23
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29280090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,C
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemistry & industry

Uses & manufacturing

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

Applications · 1 item

Uses3-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.