CAS 700-84-5 5-Fluoro-1-indanone (HCID 136537)

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Basic information

CAS: 700-84-5
Standard SMILES: O=C1CCc2cc(F)ccc21
InChIKey: WVPPBVAMKNQXJA-UHFFFAOYSA-N
Molecular formula: C9H7FO
Average molar mass: 150.15 g/mol
Monoisotopic mass: 150.04809306

Names & identifiers

Preferred name: 5-Fluoro-1-indanone
IUPAC: 5-fluoro-2,3-dihydroinden-1-one
English name: 5-Fluoro-1-indanone
Molecular formula: C9H7FO
Molecular weight: 150.15

Names & synonyms

5-Fluoro-1-indanone700-84-5DTXSID90220270RefChem:535675DTXCID90142761615-057-25-fluoro-2,3-dihydro-1h-inden-1-one5-fluoroindan-1-one5-fluoro-2,3-dihydroinden-1-oneMFCD000410311H-INDEN-1-ONE, 5-FLUORO-2,3-DIHYDRO-CCG-48239

Show more names

uoro-1-indanone5-Fluro-1-indanone5-fluoro-l-indanone5-fluoro-1-indonone5-Fluoro-L-Indonone5-Flouro-1-indanone5-Fluoro-1-Indenone5-FLUORO-INDAN-1-ONE

GEO-01402AC-2267F0376EN300-68421F8889-36445-fluoroindanone5-fluoro indanone5-Fluoro-1-indanon

Database identifiers

CAS: 700-84-5
PubChem CID: 136537
DTXSID: DTXSID90220270
EC Number: 615-057-2
Nikkaji: J265.916F

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 178

Physicochemical properties

Melting point: 38 · 38-40 °C (lit.)
Boiling point: 113 · 113-114 °C (lit.)
Density: 1.216 g/mL · 1.216 g/mL at 25 °C (lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Crystalline Low Melting Solid
Specific Gravity: 1.216 · 1.216
color: White to yellow
Water Solubility: insoluble
BRN: 1617799 · 1617799
InChI: InChI=1S/C9H7FO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKey: WVPPBVAMKNQXJA-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(F)C=C2)CC1
CAS DataBase Reference: 700 · 700-84-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (87.2%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29147000
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications

Uses5-Fluoro-1-indanone was used to prepare precursor for thiosemicarbazones derived from 1-indanones. It was used in the synthesis of 6-fluoro-1,2,3,4-tetrahydroquinoline hydrochloride.