Basic information
- Standard SMILES
Nc1cc(Br)ccn1- InChIKey
BAQKUNMKVAPWGU-UHFFFAOYSA-N- Molecular formula
- C5H5BrN2
- Average molar mass
- 173.01 g/mol
- Monoisotopic mass
- 171.96361026
Names & identifiers
- Preferred name
- 2-Amino-4-bromopyridine
- IUPAC
- 4-bromopyridin-2-amine
- English name
- 2-Amino-4-bromopyridine
- Molecular formula
- C5H5BrN2
- Molecular weight
- 173.01
Names & synonyms
2-Amino-4-bromopyridine84249-14-9DTXSID80351204RefChem:255537DTXCID80302271640-931-54-bromopyridin-2-amine2-Pyridinamine, 4-bromo-MFCD016461154-Bromo-2-pyridinamine4-Bromopyridin-2-ylamine4-bromanylpyridin-2-amine
Show more names
AURORA 23224AKOS BBS-000013812-AMino-4-broMopyridOTAVA-BB BB71109524924-Bromo-2-amine-pyridin
4-bromopyridine-2-amine4-BROMO-2-AMINOPYRIDINE2-Amino-4-bromopyridine, 97%PB12936SY0057974-bromo-2-pyridylamineAC-907/341160024-bromo-pyridin-2-ylamine
Database identifiers
- CAS
84249-14-9- PubChem CID
- 693282
- DTXSID
DTXSID80351204- EC Number
- 640-931-5
- Nikkaji
- J2.849.607I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.8
Physicochemical properties
- Melting point
- 142 · 142-146 °C
- Boiling point
- 268.2 · 268.2±20.0 °C(Predicted)
- Density
- 1.71 · 1.710±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 5.72 · 5.72±0.11(Predicted)
- form
- Solid
- color
- Off-White to Beige
- InChI
- InChI=1S/C5H5BrN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
- InChIKey
- BAQKUNMKVAPWGU-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=CC(Br)=C1
- CAS DataBase Reference
- 84249 · 84249-14-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-36-22
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 50 reports by companies from 6 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
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Applications
Uses2-Amino-4-bromopyridine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Related reactions
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