Basic information
- CAS
38585-61-4- Standard SMILES
ClCc1c[nH+]c[nH]1.[Cl-]- InChIKey
FASMXPUFMXBVRL-UHFFFAOYSA-N- Molecular formula
- C4H6Cl2N2
- Average molar mass
- 153.01 g/mol
- Monoisotopic mass
- 151.9908036
Overview
See also: 4-(Chloromethyl)-1H-imidazole hydrochloride (preferred).
Names & identifiers
- Preferred name
- 4-Chloromethylimidazolium chloride
- IUPAC
- 5-(chloromethyl)-1H-imidazol-3-ium chloride
- English name
- 4-(Chloromethyl)-1H-imidazole hydrochloride
- Molecular formula
- C4H6Cl2N2
- Molecular weight
- 153.01
Names & synonyms
4-chloromethylimidazolium chloride5-(CHLOROMETHYL)-1H-IMIDAZOLE HCL4-chloromethyl-imidazolhydrochloride4-(Chloromethyl)imidazole Hydrochloride4-Chloromethy-1H-imidazole Hydrochloride4-Chloromethy-1(3)H-imidazole Hydrochlorid5-(CHLOROMETHYL)-1H-IMIDAZOLE HYDROCHLORIDE4-(Chloromethyl)-1H-imidazole hydrochloride4-Chloromethyl-1(3)H-imidazole Hydrochloride1H-IMidazole, 4-(chloroMethyl)-, Monohydrochloride1H-Imidazole, 5-(chloromethyl)-, hydrochloride (1:1)
Database identifiers
- CAS
38585-61-4- PubChem CID
- 175647523
Properties
Computed structural properties
- Topological polar surface area
- 29.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 57.7
Physicochemical properties
- Melting point
- 1400 C · 1400C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Ethanol, Methanol, Tetrahydrofuran, Toluene
- form
- Solid
- color
- Beige
- InChI
- 1S/C4H5ClN2.ClH/c5-1-4-2-6-3-7-4;/h2-3H,1H2,(H,6,7);1H
- InChIKey
- FASMXPUFMXBVRL-UHFFFAOYSA-N
- SMILES
- ClCC1=CNC=N1.[H]Cl
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xi
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933299090 · 2933299090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2933299090
- Toxicity
- mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05103,
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Chloromethyl-1H-imidazole Hydrochloride (cas# 38585-61-4) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers64 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
Aladdin Scientific[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…