6-Chloro-1-indanone

HCID 5100705

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 14548-38-0
Standard SMILES: O=C1CCc2ccc(Cl)cc21
InChIKey: SMSGJDOJSQHQIW-UHFFFAOYSA-N
Molecular formula: C9H7ClO
Average molar mass: 166.6 g/mol
Monoisotopic mass: 166.01854252

Names & identifiers

Preferred name: 6-Chloro-1-indanone
IUPAC: 6-chloro-2,3-dihydroinden-1-one
English name: 6-Chloro-1-indanone
Molecular formula: C9H7ClO
Molecular weight: 166.6

Names & synonyms

6-Chloro-1-indanone14548-38-0DTXSID70408317RefChem:541390DTXCID80359169627-183-56-chloro-2,3-dihydroinden-1-one6-chloro-2,3-dihydro-1H-inden-1-one1H-Inden-1-one, 6-chloro-2,3-dihydro-6-Chloroindan-1-oneMFCD009563886-Chloro-indan-1-one

Show more names

6-choroindanone6-CHLORO-1-INDANONE 966-Chloro-1-indanone, 97+%JR-6918, 6-Chloro-2,3-dihydroinden-1-one, 97%

6-chloroindanone6-Chloro-1-indanone, 96%SCHEMBL1151032SCHEMBL29506179CS-B13146-CHLORO-1-INDANONE 96AKOS010641411DS-0704

Database identifiers

CAS: 14548-38-0
PubChem CID: 5100705
DTXSID: DTXSID70408317
EC Number: 627-183-5
Nikkaji: J558.516C

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 178

Physicochemical properties

Melting point: 71 · 71-79 °C
Boiling point: 110 °C · 110 °C(Press: 0.01 Torr)
Density: 1.312 · 1.312±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: solid
Appearance: White to off-white Solid
InChI: 1S/C9H7ClO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
InChIKey: SMSGJDOJSQHQIW-UHFFFAOYSA-N
SMILES: Clc1ccc2CCC(=O)c2c1
CAS DataBase Reference: 14548 · 14548-38-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H412
Precautionary statements: 273 · P273
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22
WGK Germany: 2 · 2
HazardClass: IRRITANT
HS Code: 2914790090 · 2914790090
Storage Class: 13 · 13 - Non Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 2
hs_code: 2914790090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
hazard_class: IRRITANT
Storage Class: 13 - Non Combustible Solids
Hazard statements: H302-H412
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P273

Chemistry & industry

Applications

Uses6-Chloro-1-indanone is a chlorinated indanone compound. It is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.