m-Hydroxybenzohydrazide

HCID 79889CAS 5818-06-4

Substructure search Find similar structures

Basic information

Standard SMILES: NNC(=O)c1cccc(O)c1
InChIKey: OACGSLLKFCMXSX-UHFFFAOYSA-N
Molecular formula: C7H8N2O2
Average molar mass: 152.15 g/mol
Monoisotopic mass: 152.0585775

Names & identifiers

Preferred name: m-Hydroxybenzohydrazide
IUPAC: 3-hydroxybenzohydrazide
English name: 3-HYDROXYBENZHYDRAZIDE
Molecular formula: C7H8N2O2
Molecular weight: 152.15

Names & synonyms

3-Hydroxybenzohydrazide5818-06-4m-HydroxybenzohydrazideDTXSID00206904EINECS 227-389-1RefChem:800372DTXCID90129395227-389-13-Hydroxybenzhydrazide3-Hydroxybenzoic hydrazideMFCD00014759m-Hydroxybenzhydrazide

Show more names

1431176SBB000110SMR000241897ZINC00031292Oprea1_488404468010_ALDRICH

3-hydroxybenzoylhydrazine3-hydroxy benzhydrazideMLS0004170773-hydroxybenzoic acid hydrazide3-Hydroxybenzoic hydrazide, 98%HMS2565G24BBL037273Benzoic acid, 3-hydroxy-, hydrazide

Database identifiers

CAS: 5818-06-4
PubChem CID: 79889
DTXSID: DTXSID00206904
ChEMBL: CHEMBL1351031
UNII: X2GE6RD8W7
EC Number: 227-389-1
Nikkaji: J218.076F

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 75.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 149

Experimental & physicochemical properties

LogP-0.08

Physicochemical properties

Melting point: 158 · 158-161 °C (lit.)
Density: 1.318 · 1.318±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 9.29 · 9.29±0.10(Predicted)
color: White to Light yellow
λmax: 251 nm · 251nm(MeOH)(lit.)
BRN: 638933 · 638933
InChI: 1S/C7H8N2O2/c8-9-7(11)5-2-1-3-6(10)4-5/h1-4,10H,8H2,(H,9,11)
InChIKey: OACGSLLKFCMXSX-UHFFFAOYSA-N
SMILES: NNC(=O)c1cccc(O)c1
CAS DataBase Reference: 5818 · 5818-06-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-36-37
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29280000 · 29280000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29280000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-36-37
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
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses3-Hydroxybenzoic hydrazide may be used in the following studies:As starting reagent in the preparation of hydrazide intermediates, required for the synthesis of the brevenal analogs.Synthesis of N′-[4-(dimethylamino)benzylidene]-3-hydroxybenzohydrazide.Synthesis of N′-(5-bromo-2-hydroxybenzylidene)-3-hydroxybenzohydrazide.