1-Chloro-3,5-dimethyladamantane

HCID 3259679
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Basic information

CAS
707-36-8
Standard SMILES
CC12CC3CC(C)(C1)CC(Cl)(C3)C2
InChIKey
PXDRFQZLDWZHPX-UHFFFAOYSA-N
Molecular formula
C12H19Cl
Average molar mass
198.73 g/mol
Monoisotopic mass
198.11752829

Names & identifiers

Preferred name
1-Chloro-3,5-dimethyladamantane
IUPAC
1-chloro-3,5-dimethyladamantane
English name
1-Chloro-3,5-dimethyladamantane
Molecular formula
C12H19Cl
Molecular weight
198.73

Names & synonyms

1-Chloro-3,5-dimethyladamantane707-36-85-Chloro-1,3-dimethyladamantane1,3-Dimethyl-5-chloroadamantaneQ8E5DB8WPYUNII-Q8E5DB8WPYDTXSID70390748EC 615-149-2ADAMANTANE, 1-CHLORO-3,5-DIMETHYL-TRICYCLO(3.3.1.1(SUP 3,7))DECANE, 1-CHLORO-3,5-DIMETHYL-RefChem:75373DTXCID20341609
Show more names
Adamantane Impurity CMeMantine Related CoMpound C1-Chloro-3,5-dimethyladmantane1-CHLORO-3,5-DIMETHYL-ADAMAMTANEMemantine USP Related Compound C1-Chloro-3,5-dimethoxyladamantane
615-149-21-chloro-3,5-dimethyl-adamantaneMFCD00074841SCHEMBL8106465-chloro-1,3-dimethyl adamantaneAKOS015850596CS-W010523Memantine USP RC C

Database identifiers

CAS
707-36-8
PubChem CID
3259679
DTXSID
DTXSID70390748
UNII
Q8E5DB8WPY
EC Number
615-149-2
Nikkaji
J3.791.482G

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

Boiling point
87 °C · 87 °C / 4mmHg
Density
1.02 · 1.02
refractive index
1.4962 · n/D1.4962
Flash point
93 °C · 93 °C
storage temp.
2 · 2-8°C
solubility
Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 71.4% (5 of 7) of all reports.

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 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: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22823
Hazard Classes and CategoriesSkin Irrit. 2 (14.3%)

Safety data

wgk
WGK 3
ridadr
UN 1993 / PGIII
hs_code
2903890002
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
13 - Non Combustible Solids

Chemistry & industry

Applications

UsesBuilding block has been shown to be used as a key intermediate in the synthesis of memantine hydrochloride, which was reported to be a FDA approved drug for Alzheimer′s treatment.

Uses1-Chloro-3,5-dimethyladamantane is an adamantane derivative used in the preparation of organosilicon compounds with antiviral activity. Memantine impurity C.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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