CAS 6836-19-7 7-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one (HCID 81276)

Overview

7-Methoxy-3,4-dihydro-1(2H)-naphthalenone is a member of tetralins.

Names & identifiers

Preferred name: 7-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one
IUPAC: 7-methoxy-3,4-dihydro-2H-naphthalen-1-one
English name: 7-Methoxy-1-tetralone
Molecular formula: C11H12O2
Molecular weight: 176.21

Names & synonyms

7-Methoxy-1,2,3,4-tetrahydronaphthalen-1-oneDTXSID30218494EINECS 229-916-0NSC 97611RefChem:546636DTXCID50140985229-916-07-Methoxy-1-tetralone6836-19-77-methoxy-3,4-dihydro-2H-naphthalen-1-one7-METHOXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONEMFCD00001696

Show more names

7-Methoxy-1-tetralon7-M7-Methoxy-1-tAgomelatine-87-Methoxy-1-tetraLMethoxy-1-tetralone7-methoxy-1-theamine

7-methoxytetralone1(2H)-Naphthalenone, 3,4-dihydro-7-methoxy-7-methoxy-tetralone7-methoxy-1-tetraione7-Methoxy-3,4-dihydro-1(2H)-naphthalenone7-methoxy-1,2,3,4-tetrahydro-1-naphthalenoneH4FZ2W25VZ7-methoxyl-1-tetralone

Database identifiers

CAS: 6836-19-7
PubChem CID: 81276
DTXSID: DTXSID30218494
ChEMBL: CHEMBL5186804
ChEBI: CHEBI:194932
UNII: H4FZ2W25VZ
EC Number: 229-916-0
Nikkaji: J81.282J

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 200

Physicochemical properties

Melting point: 59 · 59-63 °C (lit.)
Boiling point: 160 · 160-165 C
Density: 1.124 · 1.124±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form: Crystalline Powder
color: White to beige
Water Solubility: 309 mg/L · 309mg/L at 25℃
BRN: 2208389 · 2208389
InChI: InChI=1S/C11H12O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7H,2-4H2,1H3
InChIKey: GABLTKRIYDNDIN-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC(OC)=C2)CCC1
LogP: 2.68 · 2.68
CAS DataBase Reference: 6836 · 6836-19-7(CAS DataBase Reference)
FDA UNII: 4 FZ2W25VZ · H4FZ2W25VZ
NIST Chemistry Reference: 7 · 7-Methoxy-1-tetralone(6836-19-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 280 · P280-P302+P352-P362+P364
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 22 · 22-24/25-36-26
WGK Germany: 3 · 3
HS Code: 29145090 · 29145090
Storage Class: 11 · 11 - Combustible Solids
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 08-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21501

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29145090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 22-24/25-36-26
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P280-P302+P352-P362+P364

Chemistry & industry

Applications

Uses7-methoxy-1-tetralone was used in the synthesis of 2,7-dimethoxy-1-tetralone, substituted derivatives of 3a,4,5,6-tetrahydrosuccinimido[3,4-b]acenaphthen-10-one and 13H-benzo[6-7]indolo[3,2-c]quinolines.

Upstream & downstream products

Downstream products

7-Methoxy-1-methyl-2-tetralone 7-Methoxy-2-tetralone 7-Hydroxy-1-tetralone 1(2H)-Naphthalenone, 2-fluoro-3,4-dihydro-7-methoxy-methyl 1,2,3,4-tetrahydro-7-methoxy-1-oxo-2-naphthalenecarboxylate 1-Naphthalenol, 2-bromo-7-methoxy-(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol salvinone

Suppliers100 total

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

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

INTATRADE GmbH+49 3493/605464 · [email protected]

Additional notes

DefinitionChEBI: 7-Methoxy-3,4-dihydro-1(2H)-naphthalenone is a member of tetralins.

Related reactions

92 records

New reaction record

HRID 87635As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 110483As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 117806As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 120904As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 142867As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161223As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161720As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 162568As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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Basic information