5-Fluorobenzimidazole

HCID 235698

Notes Reactions

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Basic information

CAS: 1977-72-6
Standard SMILES: Fc1ccc2nc[nH]c2c1
InChIKey: ZDSUKNAKOLBIPX-UHFFFAOYSA-N
Molecular formula: C7H5FN2
Average molar mass: 136.13 g/mol
Monoisotopic mass: 136.04367638

Names & identifiers

Preferred name: 5-Fluorobenzimidazole
IUPAC: 6-fluoro-1H-benzimidazole
English name: 5-Fluoro-1H-benzimidazole
Molecular formula: C7H5FN2
Molecular weight: 136.13

Names & synonyms

5-FluorobenzimidazoleDTXSID10284470RefChem:1072930DTXCID302356215-fluoro-1H-benzo[d]imidazole1977-72-66-fluoro-1H-benzimidazole5-Fluoro-1H-benzimidazole1H-Benzimidazole, 6-fluoro-1H-BENZIMIDAZOLE, 5-FLUORO-MFCD007924385-fluoro-1H-1,3-benzodiazole

Show more names

NSC 373615-Fluorobenzimidazole 98%5-Fluoro-3H-1,3-benzodiazole

CHEMBL1712831H-Benzimidazole,6-fluoro-NSC373616-fluorobenzimidazole6-Fluoro1H-benzimidazole6-fluoro-1H-benzimidazol5-Fluoro-1-H-benzimidazoleSCHEMBL207131

Database identifiers

CAS: 1977-72-6
PubChem CID: 235698
DTXSID: DTXSID10284470
ChEMBL: CHEMBL171283
EC Number: 885-347-3
Nikkaji: J1.030.096G

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 129

Physicochemical properties

Melting point: 132 °C · 132 °C
Boiling point: 363.8 · 363.8±15.0 °C(Predicted)
Density: 1.37 · 1.370±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 11.69 · 11.69±0.30(Predicted)
Appearance: Light brown to brown Solid
InChI: 1S/C7H5FN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
InChIKey: ZDSUKNAKOLBIPX-UHFFFAOYSA-N
SMILES: Fc1ccc2[nH]cnc2c1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P501
Hazard Codes: Xi
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
WGK Germany: 3 · WGK 3
Hazard Note: Irritant
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.