CAS 101-82-6 2-(Phenylmethyl)pyridine (HCID 7581)

Overview

an inducer of hepatic microsomal cytochrome P450

Names & identifiers

Preferred name: 2-(Phenylmethyl)pyridine
IUPAC: 2-benzylpyridine
English name: 2-Benzylpyridine
Molecular formula: C12H11N
Molecular weight: 169.22

Names & synonyms

2-BENZYLPYRIDINE101-82-6Pyridine, 2-(phenylmethyl)-2-(Phenylmethyl)pyridineEW2N4V60MQNSC-4033DTXSID5059240RefChem:85591DTXCID8032590202-979-1Pyridine, 2-benzyl-2-benzyl-pyridine

Show more names

CDD 3529NSC 2410722-benzyl-pyridinAKOS BBS-000043832-Benzylpyridine >2-Benzylpyridine, 98+%2-PHENYLPYRIDYLMETHANE

Pheniramine Maleate EP Impurity AMFCD00006352NSC 4033EINECS 202-979-1UNII-EW2N4V60MQbenzylpyridineBRN 0115875AI3-11559

Database identifiers

CAS: 101-82-6
PubChem CID: 7581
DTXSID: DTXSID5059240
ChEMBL: CHEMBL3248606
UNII: EW2N4V60MQ
EC Number: 202-979-1
Nikkaji: J36.122D

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 138

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: 8 · 8-10 °C (lit.)
Boiling point: 276 °C · 276 °C (lit.)
Density: 1.054 g/mL · 1.054 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.579(lit.)
Flash point: 257 °F · 257 °F
storage temp.: 30 °C · Store below +30°C.
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka: 5.13 · 5.13(at 25℃)
form: liquid
color: yellow
Water Solubility: insoluble
BRN: 115875 · 115875
InChI: 1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
InChIKey: PCFUWBOSXMKGIP-UHFFFAOYSA-N
SMILES: C(c1ccccc1)c2ccccn2
LogP: 2.57 · 2.570 (est)
CAS DataBase Reference: 101 · 101-82-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 2 N4V60MQ · EW2N4V60MQ
NIST Chemistry Reference: 2 · Pyridine, 2-(phenylmethyl)-(101-82-6)
EPA Substance Registry System: 2 · Pyridine, 2-(phenylmethyl)- (101-82-6)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36-36/37/38-22
Safety Statements: 26 · 26-37/39
RIDADR: 2810 · 2810
WGK Germany: 3 · 3
RTECS: 2620000 · US2620000
TSCA: TSCA listed
HS Code: 29333999 · 29333999
Storage Class: 10 · 10 - Combustible liquids
Toxicity: 50 scu-mus: · LD50 scu-mus: 1500 mg/kg AEPPAE 227,129,55

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Pyridine, 2-(phenylmethyl)-

Pyridine, 2-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (11.4%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: US2620000
ridadr: 2810
hs_code: 29333999
Toxicity: LD50 scu-mus: 1500 mg/kg AEPPAE 227,129,55
risk_code: 36-36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-37/39
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPyridine, 2-(phenylmethyl)-: ACTIVE

Applications

Uses2-Benzylpyridine is used in organic synthesis.

Uses2-Benzylpyridine is a benzylpyridine with antifungal properties. 2-Benzylpyridine is also used as a chromogenic reagent for micro determination of Molybednum.