4-(2-chloroethyl)-1H-imidazole hydrochloride

HCID 178478570

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Basic information

CAS: 6429-10-3
Standard SMILES: Cl.ClCCc1c[nH]cn1
InChIKey: VLYMIZRIGGBHSH-UHFFFAOYSA-N
Molecular formula: C5H8Cl2N2
Average molar mass: 167.03 g/mol
Monoisotopic mass: 166.0064537

Names & identifiers

Preferred name: 4-(2-chloroethyl)-1H-imidazole hydrochloride
IUPAC: 5-(2-chloroethyl)-1H-imidazole;hydrochloride
English name: 4-(2-Chloro-ethyl)-1H-imidazole HCl
Molecular formula: C5H8Cl2N2
Molecular weight: 167.03642

Names & synonyms

4-(2-Chloroethyl)-1H-imidazole hydrochloride4-[2-chloroethyl]-1H-imidazole hydrochlorideRefChem:512349872-272-66429-10-35-(2-Chloroethyl)-1H-imidazole hydrochloride4-(2-chloroethyl)imidazole hydrochloride4-(2-Chloro-ethyl)-1H-imidazole HCL5-(2-chloroethyl)-1H-imidazole;hydrochlorideMFCD08668438MFCD202572304-[2-chloroethyl]imidazole hydrochloride

Show more names

5-(2-Chloroethyl)2-(2-Chloroethyl)-1H-imidazole1H-IMidazole,5-(2-chloroethyl)-, hydrochloride (1:1)

1H-Imidazole, 4-(2-chloroethyl)-, monohydrochlorideSCHEMBL7961043SCHEMBL11356357DTXSID30982840VLYMIZRIGGBHSH-UHFFFAOYSA-NNSC2347324-(2-Chloroethyl)-1H-imidazole HCl5-(2-Chloroethyl)-1H-imidazole HCl

Database identifiers

CAS: 6429-10-3
PubChem CID: 21715369

Properties

Computed structural properties

Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 67

Physicochemical properties

storage temp.: Inert atmosphere,Room Temperature
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.