Basic information
- Standard SMILES
Nc1cncc(Br)c1- InChIKey
MDQXGHBCDCOOSM-UHFFFAOYSA-N- Molecular formula
- C5H5BrN2
- Average molar mass
- 173.01 g/mol
- Monoisotopic mass
- 171.96361026
Names & identifiers
- Preferred name
- 3-Amino-5-bromopyridine
- IUPAC
- 5-bromopyridin-3-amine
- English name
- 3-Amino-5-bromopyridine
- Molecular formula
- C5H5BrN2
- Molecular weight
- 173.01
Names & synonyms
3-Amino-5-bromopyridine13535-01-8DTXSID90355834RefChem:497370DTXCID60306893629-312-05-bromopyridin-3-amine5-Bromo-3-pyridinamineMFCD016460605-bromo-3-pyridylamine5-bromopyridin-3-ylamine5-Bromo-pyridin-3-ylamine
Show more names
3-amino-5-bronopyridineCHEMBRDG-BB 40060485-brompyridin-3-amin3-AMino-5-broMopyridi3-Amino-5-Bromopyridie
EN300-1057593-PYRIDINAMINE, 5-BROMO-5-bromo-3-aminopyridine3-amino-5-bromo pyridine5-amino-3-bromopyridine3-amino-5-bromo-pyridine3-bromo-5-amino pyridine5-amino-3-bromo-pyridine
Database identifiers
- CAS
13535-01-8- PubChem CID
- 817681
- DTXSID
DTXSID90355834- EC Number
- 629-312-0
- Nikkaji
- J81.639F
Properties
Computed structural properties
- 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
- 65 · 65-69 °C
- Boiling point
- 149 · 149-150 °C(Press: 12 Torr)
- Density
- 1.71 · 1.710±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 3.81 · 3.81±0.20(Predicted)
- form
- Powder
- color
- White to yellow to brown
- InChI
- InChI=1S/C5H5BrN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
- InChIKey
- MDQXGHBCDCOOSM-UHFFFAOYSA-N
- SMILES
- C1=NC=C(Br)C=C1N
- CAS DataBase Reference
- 13535 · 13535-01-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,Xi,O
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36/37
- RIDADR
- Cool, dry,tightly closed
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful
- HazardClass
- IRRITANT
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- Cool, dry,tightly closed
- hs_code
- 29339900
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi,O
- hazard_note
- Harmful
- safety_code
- 26-36/37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3-Amino-5-bromopyridine is used in green preparation of tryptamine salicylic acid compounds as antitumor agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
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