Completing data — usually done within a minute
Basic information
- CAS
70067-45-7- Standard SMILES
O=C=Nc1ccncc1- InChIKey
IGGZHDMWZNFDBQ-UHFFFAOYSA-N- Molecular formula
- C6H4N2O
- Average molar mass
- 120.11 g/mol
Names & identifiers
- Preferred name
- Pyridine, 4-isocyanato-
- English name
- Pyridine, 4-isocyanato-
- Molecular formula
- C6H4N2O
- Molecular weight
- 120.11
Names & synonyms
4-Pyridyl isocyanate4-isocyanate pyridineFampridine Impurity 285Pyridin-4-yl isocyanatePyridine, 4-isocyanato-
Database identifiers
- CAS
70067-45-7- PubChem CID
- 11636796
- EC Number
- 804-130-6
- Nikkaji
- J2.163.068C
Properties
Physicochemical properties
- Melting point
- 160 · 160-161 °C
- Boiling point
- 181.9 · 181.9±13.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 4.83 · 4.83±0.10(Predicted)
- InChI
- InChI=1S/C6H4N2O/c9-5-8-6-1-3-7-4-2-6/h1-4H
- InChIKey
- IGGZHDMWZNFDBQ-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(N=C=O)=C1
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H317-H319-H331-H334
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P311
- Hazard Codes
- T
- Risk Statements
- 22 · 22-23-36-42/43
- Safety Statements
- 22 · 22-26-36/37-45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- HazardClass
- 6.1 · 6.1
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety data
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 22-23-36-42/43
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T
- safety_code
- 22-26-36/37-45
- hazard_class
- 6.1
- Hazard statements
- H302-H317-H319-H331-H334
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P280-P305+P351+P338-P311
Chemistry & industry
Applications
Uses4-Isocyanatopyridine is used in the preparation of thiadiazolopiperazinyl ureas as inhibitors of fatty acid amide hydrolase as well as the preparation of pyridyl-substituted pyrazolotriazolopyrimidine as a water-soluble human A3 adenosine receptor antagonist.
Upstream & downstream products
Upstream raw materials
Suppliers14 total
河北凡博医药科技有限公司15588346797
宁波振岳医药科技有限公司19817745290 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
8 records
Compound notes
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