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1-Chloro-1,2,3,4-tetrahydronaphthalene

HCID 188717
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
113110-47-7
Standard SMILES
ClC1CCCc2ccccc21
InChIKey
URZAPYFJGQXLKY-UHFFFAOYSA-N
Molecular formula
C10H11Cl
Average molar mass
166.65 g/mol
Monoisotopic mass
166.05492803

Names & identifiers

Preferred name
1-Chloro-1,2,3,4-tetrahydronaphthalene
IUPAC
1-chloro-1,2,3,4-tetrahydronaphthalene
English name
1-Chloro-1,2,3,4-tetrahydronaphthalene
Molecular formula
C10H11Cl
Molecular weight
166.65

Names & synonyms

1-chloro-1,2,3,4-tetrahydronaphthalene58485-68-0113110-47-7DTXSID60921000RefChem:75311DTXCID701349901611-664-1chlorotetralinNaphthalene, 1-chloro-1,2,3,4-tetrahydro-1-chlorotetralinC10H11ClMFCD10694921
Show more names
1,2,3,4-tetrahydro-1-chloronaphthaleneSCHEMBL926062SCHEMBL4155811SCHEMBL20768167SCHEMBL30422264URZAPYFJGQXLKY-UHFFFAOYSA-NAKOS000321794AKOS016050284

Database identifiers

CAS
113110-47-7、58485-68-0
PubChem CID
188717
DTXSID
DTXSID60921000
EC Number
611-664-1
Nikkaji
J1.970.239A

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
11
Formal charge
0
Complexity
133

Physicochemical properties

CAS DataBase Reference
113110 · 113110-47-7(CAS DataBase Reference)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 11-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23666
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Chemistry & industry

Suppliers8 total

上海遐瑞医药科技有限公司+86 21 61551611
上海智开医药科技有限公司15000251104 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]

Related reactions

12 records
New reaction record
HRID 76117 reaction equation
HRID 76117As reactantuspto-grants-2014_09
HRID 542856 reaction equation
HRID 542856As productuspto-grants-1987_04
HRID 697309 reaction equation
HRID 697309As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 719830 reaction equation
HRID 719830As reactantuspto-grants-2006_11
HRID 722975 reaction equation
HRID 722975As reactantuspto-grants-2006_11
HRID 1214928 reaction equation
HRID 1214928As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2074527 reaction equation
HRID 2074527As reactantuspto-grants-2011_04
HRID 2228461 reaction equation
HRID 2228461As productuspto-grants-2002_07
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Compound notes

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