Basic information
- CAS
1032903-62-0- Standard SMILES
Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-c1ccncc1- InChIKey
FGDOUMVPHJHSCK-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3
- Average molar mass
- 272.3 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-2-isopropyloxy-4-(pyridine-4-YL)-nitrobenzene
- IUPAC
- 4-(2-methyl-4-nitro-5-propan-2-yloxyphenyl)pyridine
- English name
- 4-(5-isopropoxy-2-Methyl-4-nitrophenyl)pyridine
- Molecular formula
- C15H16N2O3
- Molecular weight
- 272.3
Names & synonyms
1032903-62-0RefChem:5370155-Methyl-2-isopropyloxy-4-(pyridine-4-YL)-nitrobenzene808-270-94-(5-ISOPROPOXY-2-METHYL-4-NITROPHENYL)PYRIDINE4-(2-methyl-4-nitro-5-propan-2-yloxyphenyl)pyridineMFCD264070074-(5-Isopropoxy-2-methyl-4-nitro-phenyl)pyridine4-(5-Isopropoxy-2-methyl-4-nitro-phenyl)-pyridineSCHEMBL10136054-[2-methyl-4-nitro-5-(propan-2-yloxy)phenyl]pyridineFGDOUMVPHJHSCK-UHFFFAOYSA-N
Show more names
4-(5-isopropoxy-2-methyl-4-nitrophenyl)isopropoxy-2-methyl-4-nitrophenyl)pyridine
Pyridine, 4-[2-methyl-5-(1-methylethoxy)-4-nitrophenyl]-CS-M2894EOS-60653AKOS024463876SB74476AC-30130AS-42298SY103737
Database identifiers
- CAS
1032903-62-0- PubChem CID
- 59764545
- EC Number
- 808-270-9
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 404.2 · 404.2±40.0 °C(Predicted)
- Density
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.61 · 3.61±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C15H16N2O3/c1-10(2)20-15-9-13(12-4-6-16-7-5-12)11(3)8-14(15)17(18)19/h4-10H,1-3H3
- InChIKey
- FGDOUMVPHJHSCK-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(C2=CC(OC(C)C)=C([N+]([O-])=O)C=C2C)=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 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 CategoriesAcute Tox. 4 (66.7%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd
Related reactions
18 records
Compound notes
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