3-Fluorobenzamide

HCID 68000

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Basic information

CAS: 455-37-8
Standard SMILES: NC(=O)c1cccc(F)c1
InChIKey: YPIGHNIIXYSPKF-UHFFFAOYSA-N
Molecular formula: C7H6FNO
Average molar mass: 139.13 g/mol
Monoisotopic mass: 139.04334203

Names & identifiers

Preferred name: 3-Fluorobenzamide
IUPAC: 3-fluorobenzamide
English name: 3-Fluorobenzamide
Molecular formula: C7H6FNO
Molecular weight: 139.13

Names & synonyms

3-Fluorobenzamidem-FluorobenzamideBenzamide, 3-fluoro-Benzamide, m-fluoro-EINECS 207-247-5YPIGHNIIXYSPKF-UHFFFAOYSA-DTXSID20196535NSC 97485RefChem:93945DTXCID60119026207-247-5InChI=1/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)

Show more names

3-Fluorobenzamide>Benzamide, m-fluoro-Inter-fluorobenzamide3-Fluorobenzamide,99%3-FLUOROBENZAMIDE 99%ForMaMide between fluorobenzene3-Fluorobenzamide m-Fluorobenzamide

YPIGHNIIXYSPKF-UHFFFAOYSA-N455-37-8MFCD00007983CHEMBL125759TB4FW47464NSC-974853-Fluoro-benzamide3-Fluorobenzamide, 99%

Database identifiers

CAS: 455-37-8
PubChem CID: 68000
DTXSID: DTXSID20196535
ChEMBL: CHEMBL125759
UNII: TB4FW47464
EC Number: 207-247-5
Nikkaji: J196.162D

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: 138

Experimental & physicochemical properties

LogP0.91

Physicochemical properties

Melting point: 129 · 129-132 °C(lit.)
Boiling point: 238.4 · 238.4±23.0 °C(Predicted)
Density: 1.2099 · 1.2099 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: Fine Crystalline Powder
pka: 15.46 · 15.46±0.50(Predicted)
color: White
BRN: 1859858 · 1859858
InChI: 1S/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey: YPIGHNIIXYSPKF-UHFFFAOYSA-N
SMILES: NC(=O)c1cccc(F)c1
CAS DataBase Reference: 455 · 455-37-8(CAS DataBase Reference)
FDA UNII: 4 FW47464 · TB4FW47464
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2924297099 · 2924297099
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.