Basic information
- CAS
13338-49-3- Standard SMILES
Cl.ClCC1=NCCN1- InChIKey
GHCCHMFFNHOXEU-UHFFFAOYSA-N- Molecular formula
- C4H8Cl2N2
- Average molar mass
- 155.02 g/mol
- Monoisotopic mass
- 154.00645362
Overview
2-(chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride is a hydrochloride salt having 2-(chloromethyl)-4,5-dihydro-1H-imidazole as the basic component. It contains a 2-(chloromethyl)-4,5-dihydroimidazole.
Names & identifiers
- Preferred name
- 2-(chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride
- IUPAC
- 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride
- English name
- 2-(Chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride
- Molecular formula
- C4H8Cl2N2
- Molecular weight
- 155.03
Names & synonyms
2-(chloromethyl)-4,5-dihydro-1H-imidazole Hydrochloridechlormethylimidazoline hydrochlorideCHEBI:53553DTXSID50375417RefChem:84628DTXCID70326446641-883-813338-49-3MFCD041158231H-Imidazole, 2-(chloromethyl)-4,5-dihydro-, hydrochloride (1:1)2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride2-chloromethyl-2-imidazoline hydrochloride
Show more names
AL115Phentolamine Impurity 2Phentolamine EP Impurity BPhentolamine Impurity 2 HClPhentolamine Mesilate Impurity 62-Chloromethyl-4,5-dihydro-1H-imida5-Methanesulfonyl-2,3-dihydro-1H-indolePhentolamine Mesylate EP Impurity B HCl
2-chloromethyl-4,5-dihydro-1h-imidazole hydrochloride2-(chloromethyl)-4,5-dihydro-1h-imidazolehydrochlorideC4H8Cl2N21H-Imidazole, 2-(chloromethyl)-4,5-dihydro-, monohydrochlorideNSC1874792-(CHLOROMETHYL)-4,5-DIHYDRO-1H-IMIDAZOLE HCL2-(chloromethyl)imidazoline hydrochloride2-(Chloromethyl)-4,5-dihydroimidazole Hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 89.7
Physicochemical properties
- Melting point
- 195 · 195-197
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- crystalline solid
- color
- Orange / tan
- InChI
- InChI=1S/C4H7ClN2.ClH/c5-3-4-6-1-2-7-4;/h1-3H2,(H,6,7);1H
- InChIKey
- GHCCHMFFNHOXEU-UHFFFAOYSA-N
- SMILES
- N1CCNC=1CCl.Cl
- CAS DataBase Reference
- 13338 · 13338-49-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933299090 · 2933299090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 5 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
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-(Chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride is used in preparation of disubstituted 1,2,4-triazines and their use for pharmaceutical compound and prevention/treatment of diseases or symptoms involving aldosterone.
Upstream & downstream products
Downstream products
Suppliers100 total
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
6 records
Compound notes
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