Benzenemethanamine, 2-chloro-N-methyl-
Basic information
- CAS
94-64-4- Standard SMILES
CNCc1ccccc1Cl- InChIKey
DIWGZVQKFSFNLH-UHFFFAOYSA-N- Molecular formula
- C8H10ClN
- Average molar mass
- 155.62 g/mol
- Monoisotopic mass
- 155.050177
Names & identifiers
- Preferred name
- Benzenemethanamine, 2-chloro-N-methyl-
- IUPAC
- 1-(2-chlorophenyl)-N-methylmethanamine
- English name
- N-(2-Chlorobenzyl)-N-methylamine
- Molecular formula
- C8H10ClN
- Molecular weight
- 155.62
Names & synonyms
94-64-4Benzenemethanamine, 2-chloro-N-methyl-2-ChlorobenzylmethylamineEINECS 202-350-1DTXSID6059106RefChem:563250DTXCID7048904202-350-12-Chloro-N-methylbenzylamineN-(2-chlorobenzyl)-N-methylamine(2-Chloro-benzyl)-methyl-amine1-(2-chlorophenyl)-N-methylmethanamine
Show more names
AKOS BC-2744TIMTEC-BB SBB010370N-(2-CHLOROBENZYL)-NASINEX-REAG BAS 16578945N-ETHYL-O-CHLOROBENZYLAMINE
MFCD00013627N-Methyl-2-chlorobenzylamineO-CHLORO-N-METHYLBENZYLAMINEN(o-CHLOROBENZYL)METHYLAMINE[(2-chlorophenyl)methyl](methyl)amine[(2-chlorophenyl)methyl]methylamine1-(2-chlorophenyl)-N-methyl-methanamine2-chlorobenzyl-N-methylamine
Database identifiers
- CAS
94-64-4- PubChem CID
- 66754
- DTXSID
DTXSID6059106- ChEMBL
CHEMBL1178182- EC Number
- 202-350-1
- Nikkaji
- J182.105I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.3
Physicochemical properties
- Melting point
- 0 °C · 0°C
- Boiling point
- 225 · 225-226 °C(lit.)
- Density
- 1.11 g/mL · 1.110 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5430(lit.)
- Flash point
- 208 °F · 208 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 9.01 · 9.01±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Sensitive
- Air Sensitive
- InChI
- 1S/C8H10ClN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
- InChIKey
- DIWGZVQKFSFNLH-UHFFFAOYSA-N
- SMILES
- CNCc1ccccc1Cl
- CAS DataBase Reference
- 94 · 94-64-4(CAS DataBase Reference)
- NIST Chemistry Reference
- -2 · N-Methyl-2-chlorobenzylamine(94-64-4)
- EPA Substance Registry System
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
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)
Aggregated GHS information provided per 40 reports by companies from 3 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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2735
- hs_code
- 2921490090
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanamine, 2-chloro-N-methyl-: INACTIVE
Applications
Uses2-Chloro-N-methylbenzylamine (N-(2-chlorobenzyl)-N-methylamine) may be used in chemical synthesis studies.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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