Basic information
- CAS
254-79-5- Standard SMILES
c1cnc2cccnc2c1- InChIKey
VMLKTERJLVWEJJ-UHFFFAOYSA-N- Molecular formula
- C8H6N2
- Average molar mass
- 130.15 g/mol
- Monoisotopic mass
- 130.05309819
Overview
1,5-naphthyridine is a naphthyridine.
Names & identifiers
- Preferred name
- 1,5-Naphthyridine
- IUPAC
- 1,5-naphthyridine
- English name
- 1,5-NAPHTHYRIDINE
- Molecular formula
- C8H6N2
- Molecular weight
- 130.15
Names & synonyms
1,5-Naphthyridine254-79-51,5-Diazanaphthalene1,5-PyridopyridineCHEBI:36625DTXSID00180053NSC 87514RefChem:73546DTXCID10102544625-807-0InChI=1/C8H6N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1-6VMLKTERJLVWEJJ-UHFFFAOYSA-N
Show more names
1,5phthyridine1, 5 - nalidixic1,5-Naphthyridine>Pyrido[3,2-b]pyridinePYRIDO[1,5-B]PYRIDINE1,5-Naphthyridine 97%1,5-Naphthyridine, 97+%
[1,5]NaphthyridinepyridopyridineMFCD00039727NSC87514PQ7JA3E5YZ1,5-Naphthyridine, 96%NSC-87514AC-7912
Database identifiers
- CAS
254-79-5- PubChem CID
- 136070
- DTXSID
DTXSID00180053- ChEMBL
CHEMBL450643- ChEBI
CHEBI:36625- UNII
- PQ7JA3E5YZ
- EC Number
- 625-807-0
- Nikkaji
- J100.389E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.8
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP0.89
Physicochemical properties
- Melting point
- 69 · 69-75 °C
- Boiling point
- 152 °C · 152 °C / 54mmHg
- Density
- 1.25 · 1.25
- refractive index
- 1.6231 · 1.6231 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.9 · 2.90±0.10(Predicted)
- form
- Solid
- color
- Off-white
- InChI
- InChI=1S/C8H6N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1-6H
- InChIKey
- VMLKTERJLVWEJJ-UHFFFAOYSA-N
- SMILES
- N1C2C(=NC=CC=2)C=CC=1
- CAS DataBase Reference
- 254 · 254-79-5(CAS DataBase Reference)
Safety & regulation
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 40 reports by companies from 3 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
- 29339900
- risk_code
- 36/37/38-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-39
- 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
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
阿法埃莎（中国）化学有限公司
Related reactions
15 records
Compound notes
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