Basic information
- CAS
117347-85-0- Standard SMILES
CN(C)c1cccc(CCl)c1.Cl- InChIKey
LLVZIOLOBGBRGF-UHFFFAOYSA-N- Molecular formula
- C9H13Cl2N
- Average molar mass
- 206.11 g/mol
Names & identifiers
- Preferred name
- 3-(chloromethyl)-N,N-dimethylaniline hydrochloride
- IUPAC
- 3-(chloromethyl)-N,N-dimethylaniline;hydrochloride
Names & synonyms
3-(chloromethyl)-N,N-dimethylaniline hydrochloride117347-85-0RefChem:494676860-718-23-(chloromethyl)-N,N-dimethylaniline;hydrochlorideSCHEMBL8658595LLVZIOLOBGBRGF-UHFFFAOYSA-NSEA347853-dimethylaminobenzylchloride hydrochlorideEN300-850373-(chloromethyl)-N,N-dimethylanilinehydrochloride
Database identifiers
- CAS
117347-85-0- PubChem CID
- 18934895
- EC Number
- 860-718-2
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 114
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
2 records
Compound notes
Loading…