3-Benzylpyridine

HCID 12112

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 620-95-1
Standard SMILES: c1ccc(Cc2cccnc2)cc1
InChIKey: UUCLVSDUMKMBSM-UHFFFAOYSA-N
Molecular formula: C12H11N
Average molar mass: 169.22 g/mol
Monoisotopic mass: 169.08914936

Names & identifiers

Preferred name: 3-Benzylpyridine
IUPAC: 3-benzylpyridine
English name: 3-BENZYLPYRIDINE
Molecular formula: C12H11N
Molecular weight: 169.22

Names & synonyms

3-BENZYLPYRIDINE620-95-1Pyridine, 3-(phenylmethyl)-DTXSID80211051RefChem:93078DTXCID80133542210-661-93-benzyl-pyridine3-(Benzyl)pyridineMFCD00006408EINECS 210-661-9SCHEMBL177863

Show more names

AKOS 902353-Benzylpyridine >3-Benzylpyridine,97%3-BENZYLPYRIDINE 96+%3-(PHENYLMETHYL)PYRIDINE3-BENZYLPYRIDINE ISO 9001：2015 REACH

AKOS000279584AS-47383B1553CS-0206016F13538Z12554853213-benzyl pyridinePyridine, 3-benzyl-

Database identifiers

CAS: 620-95-1
PubChem CID: 12112
DTXSID: DTXSID80211051
EC Number: 210-661-9
Nikkaji: J79.753G

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

Kovats Retention Index1497；1500

Physicochemical properties

Melting point: 34 °C · 34°C
Boiling point: 286 · 286-287°C
Density: 1.061 · 1.0610
refractive index: 1.5818 · 1.5818 (estimate)
Flash point: 30 °C · 30 °C
storage temp.: Sealed in dry,Room Temperature
pka: 5.4 · 5.40±0.10(Predicted)
Appearance: Off-white to yellow Solid
CAS DataBase Reference: 620 · 620-95-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Pyridine, 3-(phenylmethyl)-

Pyridine, 3-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)

Regulatory information

Regulatory Information · 2 items

Chemical: Pyridine, 3-(phenylmethyl)-

Pyridine, 3-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

hs_code: 2933399990
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H302+H312+H332-H315-H319
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501