4-Fluorobenzohydrazide

HCID 9972

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 456-06-4
Standard SMILES: NNC(=O)c1ccc(F)cc1
InChIKey: UIVXXFYJRYVRKJ-UHFFFAOYSA-N
Molecular formula: C7H7FN2O
Average molar mass: 154.14 g/mol
Monoisotopic mass: 154.05424106

Names & identifiers

Preferred name: 4-Fluorobenzohydrazide
IUPAC: 4-fluorobenzohydrazide
English name: 4-Fluorobenzhydrazide
Molecular formula: C7H7FN2O
Molecular weight: 154.14

Names & synonyms

4-Fluorobenzohydrazide4-fluorobenzoic acid hydrazideRefChem:523391610-264-44-Fluorobenzhydrazide456-06-44-Fluorobenzoic hydrazidep-Fluorobenzoic acid hydrazidep-Fluorobenzoylhydrazine4-fluorobenzenecarbohydrazideBenzoic acid, 4-fluoro-, hydrazideMFCD00060562

Show more names

YTO*AKOS B020279ASISCHEM R36621AKOS BBS-00004506BUTTPARK 35\03-73TIMTEC-BB SBB002375p-Fluorobenzhydrazide4-fluoroenzoylhydrazide

Hydrazine, (p-fluorobenzoyl)-4-FluorobenzoylhydrazineBENZOIC ACID, p-FLUORO-, HYDRAZIDE4-Fluorobenzhydrazide,BRN 19463244-fluoro-benzoic acid hydrazide4-fluoro-benzhydrazide4-fluoro-benzohydrazide

Database identifiers

CAS: 456-06-4
PubChem CID: 9972
DTXSID: DTXSID30196561
EC Number: 610-264-4
Nikkaji: J83.411D

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 143

Physicochemical properties

Melting point: 162 · 162-166 °C (lit.)
Density: 1.272 · 1.272±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in methanol.
pka: 12.17 · 12.17±0.10(Predicted)
form: Crystalline Powder
color: Orange to light brown
InChI: 1S/C7H7FN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey: UIVXXFYJRYVRKJ-UHFFFAOYSA-N
SMILES: NNC(=O)c1ccc(F)cc1
CAS DataBase Reference: 456 · 456-06-4(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
WGK Germany: 3 · 3
RTECS: 1310000 · DH1310000
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 48 reports by companies from 8 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
rtecs: DH1310000
hs_code: 29280000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
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
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesUsed in the stnthesis of fluorinated poly (1, 3, 4-oxadiazole-ether-imide). N-(3,5-dinitrobenzoyl)-N-(4-fluorobenzoyl)-hydrazine with 4-Fluorobenzhydrazide as solvent in NMP.