7-Methoxy-2-tetralone

HCID 77785
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Basic information

CAS
4133-34-0
Standard SMILES
COc1ccc2c(c1)CC(=O)CC2
InChIKey
XEAPZXNZOJGVCZ-UHFFFAOYSA-N
Molecular formula
C11H12O2
Average molar mass
176.21 g/mol
Monoisotopic mass
176.08372962

Names & identifiers

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

Names & synonyms

7-Methoxy-2-tetralone4133-34-07-Methoxy-1,2,3,4-tetrahydronaphthalen-2-oneWF978B639SDTXSID00194296RefChem:106279DTXCID10116787223-954-17-methoxy-3,4-dihydronaphthalen-2(1h)-one3,4-Dihydro-7-methoxy-2(1H)-naphthalenone7-methoxy-3,4-dihydro-1H-naphthalen-2-oneMFCD00001730
Show more names
7-methoxy-3,4-dihydronaphthalen-1(2H)-one7-Mehtoxy-2-tetralone7-Methoxy-2-tetralone>7-Methoxy-2-tetralone,95%7-Methoxy-2-tetralone ,99%7-Methoxy-2-Tetralone(7-OHO)
7-METHOXYL-2-TETRALONE7-Methoxy-3,4-dihydronaphthalen-2-one2(1H)-Naphthalenone, 3,4-dihydro-7-methoxy-7-methoxytetralin-2-one7-methoxy-1,3,4-trihydronaphthalen-2-oneEINECS 223-954-1SCHEMBL43307UNII-WF978B639S

Database identifiers

CAS
4133-34-0
PubChem CID
77785
DTXSID
DTXSID00194296
UNII
WF978B639S
EC Number
223-954-1
Nikkaji
J80.759A

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
23 · 23-24 °C
Boiling point
124 · 124-126 °C/1.5 mmHg (lit.)
Density
1.13 g/mL · 1.13 g/mL at 25 °C (lit.)
vapor pressure
0.19 Pa · 0.19Pa at 25℃
refractive index
20 · n20/D 1.566(lit.)
Flash point
230 °F · >230 °F

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H316 (100%): Causes mild skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, P332+P317, and P337+P317 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 05-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21233
Hazard Classes and CategoriesSkin Mild Irrit. 3 (100%)；Eye Irrit. 2A (100%)

Regulatory information

Regulatory InformationStatus: Cease Manufacture Update: 05-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21233

Safety data

PPE
Eyeshields, Gloves
wgk
3
hs_code
29145090
risk_code
20/21/22-36/37/38
Signal word
Danger
Symbol(GHS)
GHS05,GHS07

Chemistry & industry

Applications

Uses7-Methoxy-2-tetralone was used in the synthesis of 2-bromo-3,4-dihydro-7-methoxy-1-naphthaldehyde and 2-substituted octahydrobenzo[f]quinolines.

Upstream & downstream products

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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
天津莱诺贝德科技有限公司022-87899851 18522914591

Related reactions

72 records
New reaction record

Compound notes

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