1-Chloroadamantane

HCID 64154CAS 935-56-8
Substructure searchFind similar structures

Basic information

Standard SMILES
ClC12CC3CC(CC(C3)C1)C2
InChIKey
OZNXTQSXSHODFR-UHFFFAOYSA-N
Molecular formula
C10H15Cl
Average molar mass
170.68 g/mol
Monoisotopic mass
170.08622816

Names & identifiers

Preferred name
1-Chloroadamantane
IUPAC
1-chloroadamantane
English name
1-Chloroadamantane
Molecular formula
C10H15Cl
Molecular weight
170.68

Names & synonyms

1-Chloroadamantane1-Adamantyl chlorideAdamantyl chloride3-ChloroadamantaneAdamantane, 1-chloro-Tricyclo[3.3.1.13,7]decane, 1-chloro-HOZ9S5Z71H1-Chlorotricyclo[3.3.1.13,7]decaneTricyclo(3.3.1.13,7)decane, 1-chloro-EINECS 213-305-0UNII-HOZ9S5Z71HADAMANTANE,1-CHLORO
Show more names
1-chloroadamananeRARECHEM AQ TC 10181-Chloroadamantane 98%LABOTEST-BB LT000338501-Chloroadamantane,98%1-Chloroadamantane >
NSC 143629NSC-1436291-Chlorotricyclo(3.3.1.13,7)decaneDTXSID1061318Tricyclo(3.3.1.1(3,7))decane, 1-chloro-tricyclo[3.3.1.1~3,7~]decane, 1-chloro-AMANTADINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]tricyclo(3.3.1.1~3,7~)decane, 1-chloro-

Database identifiers

CAS
935-56-8
PubChem CID
64154
DTXSID
DTXSID1061318
UNII
HOZ9S5Z71H
EC Number
213-305-0
Nikkaji
J5.218C

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesDunham energy parameter

Physicochemical properties

Melting point
165 · 165-166 °C(lit.)
Boiling point
211.58 °C · 211.58°C (rough estimate)
Density
1.0492 · 1.0492 (rough estimate)
refractive index
1.6012 · 1.6012 (estimate)
storage temp.
2 · 2-8°C
solubility
DMSO, Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
29035980
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationTricyclo[3.3.1.13,7]decane, 1-chloro-: INACTIVE
Applications · 3 items

Uses1-Chloroadamantane, an adamantane derivative shown to exhibit virucidal activity against the Newcastle disease virus in chick embryo fibroblasts. (Adamantane EP Impurity A)

Uses1-Chloroadamantane was employed as precursor for the synthesis of perfluoroadmantane derivatives via aerosol direct fluorination.

General DescriptionAn unusual zwitterionic diradical intermediate complex was generated during the photoinduced electron-transfer substitution reaction between 1-chloroadamantane and tert-butylamine system in a hydrocarbon glass.

Upstream & downstream products

Suppliers50 total

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]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

Related reactions

5 records
New reaction record

Linked notes

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