4-Amino-3-bromopyridine
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Basic information
- CAS
13534-98-0- Standard SMILES
Nc1ccncc1Br- InChIKey
DDQYSZWFFXOXER-UHFFFAOYSA-N- Molecular formula
- C5H5BrN2
- Average molar mass
- 173.01 g/mol
- Monoisotopic mass
- 171.96361
Names & identifiers
- Preferred name
- 4-Amino-3-bromopyridine
- IUPAC
- 3-bromopyridin-4-amine
- English name
- 4-Amino-3-bromopyridine
- Molecular formula
- C5H5BrN2
- Molecular weight
- 173.01
Names & synonyms
4-AMINO-3-BROMOPYRIDINE13534-98-03-Bromo-4-pyridinamine4-Pyridinamine, 3-bromo-Pyridine, 4-amino-3-bromo-DTXSID00159320RefChem:97729DTXCID3081811628-420-5DDQYSZWFFXOXER-UHFFFAOYSA-N3-bromopyridin-4-amine3-Bromo-4-aminopyridine
Show more names
1H-PYRAZOLE-5-CARBOXYLIC ACIDAKOS PAO-0460AKOS BBS-00005959IFLAB-BB F3250-06754--3- aMinopyridinebroMide4-Amino-3-bromopyridine,98%
MFCD020682973-Bromo-pyridin-4-ylamine3-bromo-4-pyridylamine3-bromo-4-pyridinylamineF1371-0140SCHEMBL520632AC-907/34116007orb3029781
Database identifiers
- CAS
13534-98-0- PubChem CID
- 26095
- DTXSID
DTXSID00159320- ChEMBL
CHEMBL5413115- EC Number
- 628-420-5
- Nikkaji
- J81.637J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- 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
- 61 · 61-69 °C
- Boiling point
- 275.8 · 275.8±20.0 °C(Predicted)
- Density
- 1.6065 · 1.6065 (rough estimate)
- refractive index
- 1.5182 · 1.5182 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 1 · pK1: 7.04(+1) (20°C)
- form
- Crystalline Powder
- color
- White to off-white
- BRN
- 110183 · 110183
- InChI
- InChI=1S/C5H5BrN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
- InChIKey
- DDQYSZWFFXOXER-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(N)=C1Br
- CAS DataBase Reference
- 13534 · 13534-98-0(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
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+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 47 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
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-37/39-39
- hazard_class
- IRRITANT, AIR SENSITIVE
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses4-Amino-3-bromopyridine is used as an intermediate in organic synthesis and pharmaceuticals.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
9 records
Compound notes
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