2-(Chloromethyl)-1-methylpyrrolidinium chloride
Basic information
- CAS
54288-69-6- Standard SMILES
CN1CCCC1CCl.Cl- InChIKey
JMYYNTRVGBDWDB-UHFFFAOYSA-N- Molecular formula
- C6H13Cl2N
- Average molar mass
- 170.08 g/mol
- Monoisotopic mass
- 169.0425048
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-1-methylpyrrolidinium chloride
- IUPAC
- 2-(chloromethyl)-1-methylpyrrolidine;hydrochloride
- English name
- 2-(chloromethyl)-1-methylpyrrolidinium chloride
- Molecular formula
- C6H13Cl2N
- Molecular weight
- 170.08012
Names & synonyms
2-(Chloromethyl)-1-methylpyrrolidinium chlorideRefChem:460156259-066-654288-69-62-(chloromethyl)-1-methylpyrrolidine hydrochloride2-CHLOROMETHYL-1-METHYL-PYRROLIDINE HYDROCHLORIDEERL-551MFCD016881162-Chloromethyl-1-methylpyrrolidine hydrochloride2-(chloromethyl)-1-methylpyrrolidine;hydrochlorideEINECS 259-066-6Pyrrolidine, 2-chloromethyl-1-methyl-, hydrochloride
Show more names
SCHEMBL2291614DTXSID60969326JMYYNTRVGBDWDB-UHFFFAOYSA-NECA28869SCA82441SB37593BS-38177SY206373
Database identifiers
- CAS
54288-69-6- PubChem CID
- 198326
- DTXSID
DTXSID60969326- EC Number
- 259-066-6
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 74.9
Physicochemical properties
- form
- solid
- InChI
- 1S/C6H12ClN.ClH/c1-8-4-2-3-6(8)5-7;/h6H,2-5H2,1H3;1H
- InChIKey
- JMYYNTRVGBDWDB-UHFFFAOYSA-N
- SMILES
- ClCC1N(C)CCC1.Cl
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 3 Eye · Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 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 CategoriesAcute Tox. 3 (50%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301-H315-H318-H335
- Hazard Classifications
- Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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