4-Chloro-3-nitropyridine
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Basic information
- CAS
13091-23-1- Standard SMILES
O=[N+]([O-])c1cnccc1Cl- InChIKey
JOTRPRKONYTVBV-UHFFFAOYSA-N- Molecular formula
- C5H3ClN2O2
- Average molar mass
- 158.54 g/mol
- Monoisotopic mass
- 157.988305
Names & identifiers
- Preferred name
- 4-Chloro-3-nitropyridine
- IUPAC
- 4-chloro-3-nitropyridine
- English name
- 4-Chloro-3-nitropyridine
- Molecular formula
- C5H3ClN2O2
- Molecular weight
- 158.54
Names & synonyms
4-Chloro-3-nitropyridine13091-23-1Pyridine, 4-chloro-3-nitro-DTXSID90370941RefChem:98452DTXCID10321975603-447-5JOTRPRKONYTVBV-UHFFFAOYSA-N3-nitro-4-chloropyridine4-Chloro-3-nitro-pyridineMFCD026830253-nitro-4-chloro-pyridine
Show more names
4-Chlor-3-nitro-pyridin4-CHLORO-3-NITROPYRIDINE 98%4-chloro-3-nitropyridine, 97%,4-Chloro-3-nitropyridine, tech.4-Chloro-3-nitropyridine ISO 9001：2015 REACH4-CHLORO-3-NITROPYRIDINE 4-CHLORO-3-NITROPYRIDINE
4-chloro-3-nitro pyridine4Chloro-3-nitropyridineVX2ZU89YBD3-Nitro-4-Chloro pyridineSCHEMBL56332SCHEMBL1499409SCHEMBL17113878SCHEMBL30258234
Database identifiers
- CAS
13091-23-1- PubChem CID
- 2735781
- DTXSID
DTXSID90370941- UNII
- VX2ZU89YBD
- EC Number
- 603-447-5
- Nikkaji
- J1.074.889E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 35 · 35-50 °C
- Boiling point
- 95 °C · 95 °C(Press: 5 Torr)
- Density
- 1.489 · 1.489±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 0.56 · 0.56±0.10(Predicted)
- form
- Crystalline Powder
- color
- Pale yellow
- Water Solubility
- Insoluble in water.
- InChI
- InChI=1S/C5H3ClN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H
- InChIKey
- JOTRPRKONYTVBV-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(Cl)=C1[N+]([O-])=O
- CAS DataBase Reference
- 13091 · 13091-23-1(CAS DataBase Reference)
- Comptox DTXSID
- 90370941 · DTXSID90370941
- UNSPSC Code
- 12352100 · 12352100
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
Danger
H301 (89.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (89.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (10.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (10.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (89.4%)；Eye Dam. 1 (89.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2811
- hs_code
- 2933399090
- risk_code
- 20/21/22-36/37/38-41-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xi,Xn
Chemistry & industry
Applications
Uses4-Chloro-3-nitropyridine (cas# 13091-23-1) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
300 records
Compound notes
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