CAS 1083-48-3 4-(4-Nitrobenzyl)pyridine (HCID 14129)

Overview

reagent for determination of organophosphorus pesticides spectrophotometrically

Names & identifiers

Preferred name: 4-(4-Nitrobenzyl)pyridine
IUPAC: 4-[(4-nitrophenyl)methyl]pyridine
English name: 4-(4-Nitrobenzyl)pyridine
Molecular formula: C12H10N2O2
Molecular weight: 214.22

Names & synonyms

4-(4-Nitrobenzyl)pyridine1083-48-34-(p-Nitrobenzyl)pyridinePyridine, 4-[(4-nitrophenyl)methyl]-gamma-(p-Nitrobenzyl)pyridinePyridine, 4-((4-nitrophenyl)methyl)-0Z6GS37N7HNSC-83591DTXSID20614824-[4-Nitrobenzyl]pyridineRefChem:97266DTXCID6033110

Show more names

NBPTIMTEC-BB SBB008854Nitrobenzyl)pyridine4-Nitrobenzylpyridin4-Nitrobenzyl pyridinePARA-NITROBENZYLPYRIDINE4-(4-Nitrobenyl)pyridine4-(4-Nitrobenzyl)pyridin4-(p-nitrobenzyl)-pyridin

214-108-24-[(4-nitrophenyl)methyl]pyridinePYRIDINE, 4-(p-NITROBENZYL)-1-(p-Nitrobenzyl)pyridineMFCD00006445NSC 83591.gamma.-(p-Nitrobenzyl)pyridine.gamma.-(4-Nitrobenzyl)pyridine

Database identifiers

CAS: 1083-48-3
PubChem CID: 14129
DTXSID: DTXSID2061482
ChEMBL: CHEMBL1606980
UNII: 0Z6GS37N7H
EC Number: 214-108-2
Nikkaji: J85.712B

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 226

Experimental & physicochemical properties

LogP2.73

Physicochemical properties

Melting point: 69 · 69-71 °C (lit.)
Boiling point: 354.35 °C · 354.35°C (rough estimate)
Density: 1.2042 · 1.2042 (rough estimate)
refractive index: 1.666 · 1.6660 (estimate)
storage temp.: 30 °C · Store below +30°C.
form: Crystals or Crystalline Powder
pka: 5.51 · 5.51±0.10(Predicted)
color: Light yellow
Water Solubility: Soluble in acetone. Insoluble in water.
Sensitive: Light Sensitive
BRN: 170877 · 170877
InChI: 1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2
InChIKey: MNHKUCBXXMFQDM-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(Cc2ccncc2)cc1
CAS DataBase Reference: 1083 · 1083-48-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 0 Z6GS37N7H · 0Z6GS37N7H
NIST Chemistry Reference: 4 · Pyridine, 4-[(4-nitrophenyl)methyl]-(1083-48-3)
EPA Substance Registry System: 4 · Pyridine, 4-[(4-nitrophenyl)methyl]- (1083-48-3)
UNSPSC Code: 12352102 · 12352102
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 6360000 · UT6360000
F: 10 · 10-23
TSCA: TSCA listed
HS Code: 29333999 · 29333999
Storage Class: 13 · 13 - Non Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Regulatory Information · 2 items

Chemical: Pyridine, 4-[(4-nitrophenyl)methyl]-

4-(4-Nitrobenzyl) pyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10-23
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: UT6360000
hs_code: 29333999
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 13 - Non Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Colorless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into colored compounds; used in biochemical assays and in diagnosis as indicators, especially in the form of enzyme substrates. Synonym: chromogens (not to be confused with pigment-synthesizing bacteria also called chromogens).

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)