2-bromo-N,N-dimethylbenzylamine
Basic information
- CAS
1976-04-1- Standard SMILES
CN(C)Cc1ccccc1Br- InChIKey
ZPZPSZZVDFMNQS-UHFFFAOYSA-N- Molecular formula
- C9H12BrN
- Average molar mass
- 214.1 g/mol
- Monoisotopic mass
- 213.01531148
Names & identifiers
- Preferred name
- 2-bromo-N,N-dimethylbenzylamine
- IUPAC
- 1-(2-bromophenyl)-N,N-dimethylmethanamine
- English name
- 2-bromo-N,N-dimethylbenzylamine
- Molecular formula
- C9H12BrN
- Molecular weight
- 214.1
Names & synonyms
2-Bromo-N,N-dimethylbenzylamine1-(2-bromophenyl)-n,n-dimethylmethanamineBenzenemethanamine, 2-bromo-N,N-dimethyl-2-Bromo-N,N-dimethylbenzenemethanamine4P3Z3AG3G7NSC-54514NSC-62161ZPZPSZZVDFMNQS-UHFFFAOYSA-DTXSID00173440EINECS 217-831-1NSC 54514NSC 62161
Show more names
2-Brom-N,N-dimethylbenzylamin(2-BROMOBENZYL)DIMETHYLBENZYLAMINE(2-Bromophenyl)-N,N-dimethylmethylamine
RefChem:85826DTXCID3095931217-831-1InChI=1/C9H12BrN/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7H2,1-2H3ZPZPSZZVDFMNQS-UHFFFAOYSA-N1976-04-1(2-BROMOBENZYL)DIMETHYLAMINE[(2-bromophenyl)methyl]dimethylamine
Database identifiers
- CAS
1976-04-1- PubChem CID
- 74792
- DTXSID
DTXSID00173440- UNII
- 4P3Z3AG3G7
- EC Number
- 217-831-1
- Nikkaji
- J199.794G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Melting point
- 124 · 124-126 °C
- Boiling point
- 108 · 108-112 °C(Press: 20 Torr)
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 8.32 · 8.32±0.28(Predicted)
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 4 P3Z3AG3G7 · 4P3Z3AG3G7
- Comptox DTXSID
- 173440 · DTXSID00173440
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- RIDADR
- 1760 · 1760
- Hazard Note
- Irritant
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 2921499090 · 2921499090
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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. 4 (50%)
Safety data
- ridadr
- 1760
- hs_code
- 2921499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-bromo-N,N-dimethylbenzylamine can be used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
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