2,4-Dibromo-1-naphthylamine
Basic information
- CAS
20191-76-8- Standard SMILES
Nc1c(Br)cc(Br)c2ccccc12- InChIKey
UYTVDHNTKCSQOF-UHFFFAOYSA-N- Molecular formula
- C10H7Br2N
- Average molar mass
- 300.98 g/mol
- Monoisotopic mass
- 298.89452342
Names & identifiers
- Preferred name
- 2,4-Dibromo-1-naphthylamine
- IUPAC
- 2,4-dibromonaphthalen-1-amine
- English name
- 1-Amino-2,4-dibromonaphthalene
- Molecular formula
- C10H7Br2N
- Molecular weight
- 300.98
Names & synonyms
2,4-dibromo-1-naphthylamineRefChem:443200633-828-12,4-dibromonaphthalen-1-amine20191-76-81-Amino-2,4-dibromonaphthaleneMFCD001553452,4-dibromo-1-naphthalenamine2,4-Dibromonaphthalene-1-amineNSC1438112,4-Dibromo-1-naphtylamineSCHEMBL4880191
Show more names
SCHEMBL300649122,4-dibromonaphthalen-1-amine1DTXSID00301504UYTVDHNTKCSQOF-UHFFFAOYSA-N1-Naphthalenamine, 2,4-dibromo-AKOS022170557NSC-143811SS-4764
Database identifiers
- CAS
20191-76-8- PubChem CID
- 286091
- DTXSID
DTXSID00301504- EC Number
- 633-828-1
- Nikkaji
- J82.941B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- Boiling point
- 369.7 · 369.7±27.0 °C(Predicted)
- Density
- 1.902 · 1.902±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -0.22 · -0.22±0.10(Predicted)
- Appearance
- Yellow to brown Solid
- 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
- HS Code
- 2921599090 · 2921599090
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 39 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 (100%)
Safety data
- hs_code
- 2921599090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2,4-Dibromonaphthalen-1-amine is used as a reactant in the preparation of pyrazoles as inhibitors of macrophage migration inhibitory factor.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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