Basic information
- CAS
206658-80-2- Standard SMILES
N#Cc1cc2c(=O)c3cc(Br)ccc3oc2nc1N- InChIKey
UFLWUJOAQJLVMJ-UHFFFAOYSA-N- Molecular formula
- C13H6BrN3O2
- Average molar mass
- 316.11 g/mol
- Monoisotopic mass
- 314.96434
Names & identifiers
- Preferred name
- 2-Amino-7-bromo-5-oxo-5H-(1)benzopyrano(2,3-b)pyridine-3-carbonitrile
- IUPAC
- 2-amino-7-bromo-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
- English name
- 2-Amino-7-bromo-5-oxo-5H-(1)benzopyrano&
- Molecular formula
- C13H6BrN3O2
- Molecular weight
- 316.11
Names & synonyms
206658-80-22-Amino-7-bromo-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrileDTXSID903479762-Amino-7-bromo-5-oxo-5H-(1)benzopyrano(2,3-b)pyridine-3-carbonitrileRefChem:255874DTXCID50299048621-936-12-Amino-7-bromo-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile2-amino-7-bromo-5-oxochromeno[2,3-b]pyridine-3-carbonitrileC13H6BrN3O2Oprea1_048912SCHEMBL2238422
Show more names
2-Amino-7-bromo-5-oxo-5H-(1)benzopyrano&JRH-03104, 2-Amino-7-bromo-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile, 97%
UFLWUJOAQJLVMJ-UHFFFAOYSA-NMFCD00191724SBB012540AKOS0242834975H-[1]BENZOPYRANO[2,3-B]PYRIDINE-3-CARBONITRILE, 2-AMINO-7-BROMO-5-OXO-ST0693492-amino-7-bromo-5-oxo-chromeno[2,3-b]pyridine-3-carbonitrile2-Amino-7-bromo-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile #
Database identifiers
- CAS
206658-80-2
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Boiling point
- 581.6 · 581.6±50.0 °C(Predicted)
- Density
- 1.86 · 1.86±0.1 g/cm3(Predicted)
- pka
- -2.44 · -2.44±0.20(Predicted)
- InChI
- 1S/C13H6BrN3O2/c14-7-1-2-10-8(4-7)11(18)9-3-6(5-15)12(16)17-13(9)19-10/h1-4H,(H2,16,17)
- InChIKey
- UFLWUJOAQJLVMJ-UHFFFAOYSA-N
- SMILES
- Nc1nc2Oc3ccc(Br)cc3C(=O)c2cc1C#N
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Amino-7-bromo-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile is an halogenated heterocycle.
General Description2-Amino-7-bromo-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile is an halogenated heterocycle.
Suppliers5 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…