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6,9-Dichloro-1,2,3,4-tetrahydroacridine

HCID 219664
NotesReactions

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

Basic information

CAS
5396-25-8
Standard SMILES
Clc1ccc2c(Cl)c3c(nc2c1)CCCC3
InChIKey
UPHWUTWIUIWUJB-UHFFFAOYSA-N
Molecular formula
C13H11Cl2N
Average molar mass
252.14 g/mol
Monoisotopic mass
251.02685471

Names & identifiers

Preferred name
6,9-Dichloro-1,2,3,4-tetrahydroacridine
IUPAC
6,9-dichloro-1,2,3,4-tetrahydroacridine
English name
6,9-Dichloro-1,2,3,4-tetrahydroacridine
Molecular formula
C13H11Cl2N
Molecular weight
252.14

Names & synonyms

6,9-DICHLORO-1,2,3,4-TETRAHYDROACRIDINE5396-25-8DTXSID10277226RefChem:103918DTXCID60228384634-878-7Acridine, 6,9-dichloro-1,2,3,4-tetrahydro-MFCD118492676-Chloro-9-chloro-1,2,3,4-tetrahydroacridineNSC12276,2,3,4-TETRAHYDROACRIDINEorb1694153
Show more names
SCHEMBL4266767CHEMBL3221004TQP0776UPHWUTWIUIWUJB-UHFFFAOYSA-NFAA39625NSC 1227NSC-1227CCG-26244

Database identifiers

CAS
5396-25-8
PubChem CID
219664
DTXSID
DTXSID10277226
ChEMBL
CHEMBL3221004
EC Number
634-878-7
Nikkaji
J1.282.453J

Properties

Computed structural propertiesFilling in

XLogP
4.6
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
16
Formal charge
0
Complexity
258

Physicochemical properties

storage temp.
-20 °C · Store at -20°C
solubility
5 mg/ml,DMF:PBS · DMF: 5 mg/ml,DMF:PBS (pH 7.2) (1:2): 0.33 mg/ml,DMSO: 1 mg/ml,Ethanol: 1 mg/ml
form
A crystalline solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
413 · H413-H319-H335-H302-H315
Precautionary statements
264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H413-H319-H335-H302-H315
Precautionary statements
P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

Uses6,9-Dichloro-1,2,3,4-tetrahydroacridine (compound 26) is an intermediate for the synthesis of acetylcholinesterase (AChE) inhibitors, which can be used in the study of Alzheimer's disease[1].

Suppliers14 total

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
上海研易宝医药科技有限公司13661744693 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
四川铂友生物科技有限公司(原四川佰朋)028-65791793 18140026355 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
ChemeGen 中国18818260767 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
成都未来元素生物材料有限公司18202812219 · [email protected]

Related reactions

6 records
New reaction record
HRID 636352 reaction equation
HRID 636352As productuspto-grants-2001_02
HRID 1506777 reaction equation
HRID 1506777As reactantuspto-grants-2015_12
HRID 1506778 reaction equation
HRID 1506778As reactantuspto-grants-2015_12
HRID 1821085 reaction equation
HRID 1821085As productuspto-grants-2009_10
HRID 1821087 reaction equation
HRID 1821087As reactantuspto-grants-2009_10
HRID 2342718 reaction equation
HRID 2342718As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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