CAS 770-70-7 1-(Chloromethyl)adamantane (HCID 2103969)

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Basic information

CAS: 770-70-7
Standard SMILES: ClCC12CC3CC(CC(C3)C1)C2
InChIKey: VZUOFLCVOCPUCM-UHFFFAOYSA-N
Molecular formula: C11H17Cl
Average molar mass: 184.7 g/mol
Monoisotopic mass: 184.10187822

Names & identifiers

Preferred name: 1-(Chloromethyl)adamantane
IUPAC: 1-(chloromethyl)adamantane
English name: 1-(Chloromethyl)adamantane
Molecular formula: C11H17Cl
Molecular weight: 184.71

Names & synonyms

1-(chloromethyl)adamantane770-70-7DTXSID40366531RefChem:427502DTXCID10317570851-276-11-chloromethyladamantane1-adamantyl methyl chlorideMFCD052708551-chloromethyl-adamantaneSCHEMBL5149317AKOS008030329

Show more names

Enterolactone Impurity 13

EN300-09493G21510Tricyclo[3.3.1.13,7]decane, 1-(chloromethyl)-Z56979293F3052-0024

Database identifiers

CAS: 770-70-7
PubChem CID: 2103969
DTXSID: DTXSID40366531
EC Number: 851-276-1
Nikkaji: J792.929C

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 156

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 332 · H332-H302-H312-H314
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (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

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H332-H302-H312-H314
Precautionary statements: P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312