3-Fluorobenzohydrazide

HCID 351640CAS 499-55-8

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Basic information

Standard SMILES: NNC(=O)c1cccc(F)c1
InChIKey: UUISEXNUHLZEDB-UHFFFAOYSA-N
Molecular formula: C7H7FN2O
Average molar mass: 154.14 g/mol
Monoisotopic mass: 154.05424101

Names & identifiers

Preferred name: 3-Fluorobenzohydrazide
IUPAC: 3-fluorobenzohydrazide
English name: 3-Fluorobenzhydrazide
Molecular formula: C7H7FN2O
Molecular weight: 154.14

Names & synonyms

3-FluorobenzohydrazideRefChem:501945610-486-13-Fluorobenzhydrazide499-55-83-Fluorobenzoic hydrazide3-fluorobenzoic acid hydrazideMFCD000605613-Fluorobenzohydrazide #NSC522533SCHEMBL4057853-Fluoro-benzoic acid hydrazide

Show more names

BUTTPARK 35\03-723-Fluorobenzhydrazide98%3-Fluorobenzhydrazide 98%3-Fluorobenzoic hydrazide 97%Benzoic acid, 3-fluoro-, hydrazide

3-Fluorobenzoic hydrazide, 97%DTXSID503259973-fluorobenzenecarbohydrazideSCHEMBL9680995SCHEMBL300463701-fluorobenzene-3-carbohydrazideALBB-033577AC7945

Database identifiers

CAS: 499-55-8
PubChem CID: 351640
DTXSID: DTXSID50325997
EC Number: 610-486-1
Nikkaji: J2.261.249B

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: 151

Physicochemical properties

Melting point: 139 · 139-143 °C (lit.)
Density: 1.272 · 1.272±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Powder
pka: 11.78 · 11.78±0.10(Predicted)
color: White to off-white
InChI: 1S/C7H7FN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey: UUISEXNUHLZEDB-UHFFFAOYSA-N
SMILES: NNC(=O)c1cccc(F)c1
CAS DataBase Reference: 499 · 499-55-8(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: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2928009090 · 2928009090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2928009090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-36
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

Uses3-FLUOROBENZHYDRAZIDE can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.