1-Bromo-4-(Dimethylamino)Naphthalene
Basic information
- CAS
59557-93-6- Standard SMILES
CN(C)c1ccc(Br)c2ccccc12- InChIKey
CWPDFSZHOZTGQW-UHFFFAOYSA-N- Molecular formula
- C12H12BrN
- Average molar mass
- 250.13 g/mol
- Monoisotopic mass
- 249.01531148
Names & identifiers
- Preferred name
- 1-Bromo-4-(Dimethylamino)Naphthalene
- IUPAC
- 4-bromo-N,N-dimethylnaphthalen-1-amine
- English name
- 1-BROMO-4-(DIMETHYLAMINO)NAPHTHALENE
- Molecular formula
- C12H12BrN
- Molecular weight
- 250.13
Names & synonyms
59557-93-61-Bromo-4-(Dimethylamino)NaphthaleneDTXSID50399133RefChem:228581DTXCID103499924-bromo-N,N-dimethylnaphthalen-1-amineMFCD02093945(4-bromonaphthyl)dimethylamineSCHEMBL2949640AKOS0235409564-bromo-N,N-dimethyl-naphthalen-1-amineAS-63855
Show more names
4-Bromo-N,N-dimethyl-1-naphthylamine1-NaphthalenaMine, 4-broMo-N,N-diMethyl-
ST082994CS-0319744F722980
Database identifiers
- CAS
59557-93-6- PubChem CID
- 4083804
- DTXSID
DTXSID50399133- EC Number
- 677-865-1
- Nikkaji
- J1.982.172B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 137 · 137-139°C 2mm
- Density
- 1 · 1,4305 g/cm3
- refractive index
- 1.6361 · 1.6361
- Flash point
- 137 · 137-139°C/2mm
- pka
- 4.41 · 4.41±0.40(Predicted)
- BRN
- 3254839 · 3254839
- CAS DataBase Reference
- 59557 · 59557-93-6
- Symbol(GHS)
- 6 · GHS06
- Hazard statements
- 302 · H302-H312-H331
- Precautionary statements
- 261 · P261-P280h-P304+P340-P311a-P405-P501a
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 26 · 26-36/37
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- risk_code
- 20/21/22
- Symbol(GHS)
- GHS06
- safety_code
- 26-36/37
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H331
- Precautionary statements
- P261-P280h-P304+P340-P311a-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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