4-Fluorobenzamide

HCID 71572

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 824-75-9
Standard SMILES: NC(=O)c1ccc(F)cc1
InChIKey: VNDHYTGVCGVETQ-UHFFFAOYSA-N
Molecular formula: C7H6FNO
Average molar mass: 139.13 g/mol
Monoisotopic mass: 139.04334203

Overview

structure in first source

Names & identifiers

Preferred name: 4-Fluorobenzamide
IUPAC: 4-fluorobenzamide
English name: 4-Fluorobenzamide
Molecular formula: C7H6FNO
Molecular weight: 139.13

Names & synonyms

4-Fluorobenzamide824-75-9p-FluorobenzamideBenzamide, p-fluoro-p-Fluorobenzoic acid amideYB79F3XB1GNSC-102765DTXSID60231717p-fluorobenzylamideRefChem:523374DTXCID90154208212-535-9

Show more names

4-fluoro-benzamidp-fluoro-benzamid4-Fluoro BenamideOn-fluorobenzamide4- fluoroforMaMideBenzamide, 4-fluoro-

4-fluorobenzylamideMFCD000079924-Fluoro-benzamideCHEMBL125596EINECS 212-535-9UNII-YB79F3XB1GBRN 18597444fluorobenzamide

Database identifiers

CAS: 824-75-9
PubChem CID: 71572
DTXSID: DTXSID60231717
ChEMBL: CHEMBL125596
UNII: YB79F3XB1G
EC Number: 212-535-9
Nikkaji: J149.990D

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 130

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

LogP0.91

Physicochemical properties

Melting point: 154 · 154-157 °C(lit.)
Boiling point: 253.1 · 253.1±23.0 °C(Predicted)
Density: 1.2099 · 1.2099 (estimate)
storage temp.: 2 · 2-8°C
form: Powder
pka: 15.93 · 15.93±0.50(Predicted)
color: White to light beige
BRN: 1859744 · 1859744
CAS DataBase Reference: 824 · 824-75-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 79 F3XB1G · YB79F3XB1G
NIST Chemistry Reference: p-Fluorobenzamide(824-75-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
WGK Germany: 3 · 3
RTECS: 4956666 · CV4956666
HazardClass: IRRITANT
HS Code: 29242990 · 29242990

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.