5-Hydroxy-1-indanone (HCID 233147)

Names & identifiers

Preferred name: 5-Hydroxy-1-indanone
IUPAC: 5-hydroxy-2,3-dihydroinden-1-one
English name: 5-Hydroxy-1-indanone
Molecular formula: C9H8O2
Molecular weight: 148.16

Names & synonyms

5-Hydroxy-1-indanoneDTXSID70283404RefChem:536149DTXCID50234555627-457-43470-49-35-hydroxy-2,3-dihydro-1H-inden-1-one5-hydroxyindan-1-one5-Hydroxyindanone5-hydroxy-2,3-dihydroinden-1-oneMFCD008575271H-Inden-1-one, 2,3-dihydro-5-hydroxy-

Show more names

5-hydry-1-indanoneIFLAB-BB F2108-01445-Hydroxyl-1-indanone5-Hydroxy-1-indanone>5-Hydroxy-1-indanone 95%5-Hydroxyindan-1-one 97%2,3-Dihydro-5-hydroxy-1H-inden-1-one

1-oxo-5-indanol5-hydroxy-indan-1-one5-hydroxy-2,3-dihydro-1H-indene-1-one5-Hydroxy-1-indanone, 95%AKOS005207246Z1255457932NSC312495-Hydroxy-1-i

Database identifiers

CAS: 3470-49-3
PubChem CID: 233147
DTXSID: DTXSID70283404
EC Number: 627-457-4
Nikkaji: J20.945G

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 176

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 175 °C · 175 °C (dec.) (lit.)
Boiling point: 251 °C · 251 °C
Density: 1.305 · 1.305±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 8.15 · 8.15±0.20(Predicted)
color: White to Light yellow to Light orange
InChI: InChI=1S/C9H8O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,10H,1,4H2
InChIKey: ZRKQOVXGDIZYDS-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(O)C=C2)CC1
CAS DataBase Reference: 3470 · 3470-49-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-36/37/39-27
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29145090 · 29145090
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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29145090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-36/37/39-27
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses5-Hydroxy-1-indanone may be used in the preparation of (5-hydroxy-indan-(1E)-ylidene)-acetic acid and 5-[2-(phenyl)ethoxy]-1-indanone. It may be used as a starting material in the multi-step synthesis of 5H-indeno[1,2-c]pyridazin-5-one analogs.

General Description5-Hydroxy-1-indanone is a 1-indanone derivative.

Upstream & downstream products

Upstream raw materials

2-broMo-1-(4-hydroxy-2-Methyl-phenyl)-ethanone 3-Hydroxycinnamic acid 5-Methoxy-1-indanone 7A-METHYL-2,3,7,7A-TETRAHYDRO-1H-INDENE-1,5(6H)-DIONE 1H-INDEN-1-ONE, 5-METHOXY-3-Chloro-1-(4-methoxyphenyl)propan-1-one 4'-HYDROXY-2'-METHYLACETOPHENONE 5-Bromo-1-indanone 3,4-(Methylenedioxy)cinnamic acid 3-(3-HYDROXYPHENYL)PROPIONIC ACID

Downstream products

6-HYDROXY-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE indan-1,5-diol

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Related reactions

66 records

New reaction record

HRID 16287As reactantuspto-grants-2010_06

HRID 64900As reactantuspto-grants-1986_09

HRID 69502As reactantuspto-grants-2014_09

HRID 102024As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 106000As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 109775As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 143794As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 170948As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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Basic information