CAS 31106-82-8 2-(Bromomethyl)pyridine hydrobromide (HCID 2734720)

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Basic information

CAS: 31106-82-8
Standard SMILES: Br.BrCc1ccccn1
InChIKey: JQDNCGRNPYKRAO-UHFFFAOYSA-N
Molecular formula: C6H7Br2N
Average molar mass: 252.93 g/mol
Monoisotopic mass: 250.89452

Names & identifiers

Preferred name: 2-(Bromomethyl)pyridine hydrobromide
IUPAC: 2-(bromomethyl)pyridine;hydrobromide
English name: 2-(Bromomethyl)pyridine hydrobromide
Molecular formula: C6H7Br2N
Molecular weight: 252.93

Names & synonyms

2-(Bromomethyl)pyridine hydrobromide31106-82-8DTXSID10370463RefChem:253383DTXCID90321498629-514-92-(bromomethyl)pyridine;hydrobromide2-picolyl bromide hydrobromideMFCD018635442-(bromomethyl)pyridine, bromide2-(bromomethyl)pyridinehydrobromide2-(BROMOMETHYL)PYRIDINE HBR

Show more names

2-BroMoMethylpyridine HBr2-(BroMoMethyl)pyridine 2-Picolyl Bromide Hydrobromide2-(Bromomethyl)pyridine Hydrobromide >2-(BroMoMethyl)pyridine hydrobroMide 98%2-(BROMOMETHYL)PYRIDINE HYDROBROMIDE, 982-(Bromomethyl)pyridine hydrobromide ,97.5%2-(BroMoMethyl)pyridine hydrobroMide, 98% 5GR2-(Bromomethyl)pyridine hydrobromide ISO 9001：2015 REACH

Pyridine, 2-(bromomethyl)-, hydrobromide2-(bromomethyl)pyridine,hydrobromideSCHEMBL119703SCHEMBL294270442-bromomethylpyridine hydrobromide(Bromomethyl)pyridine hydrobromide2-(bromomethyl)pyridine HBr salt2-pyridylmethylbromide hydrobromide

Database identifiers

CAS: 31106-82-8
PubChem CID: 2734720
DTXSID: DTXSID10370463
EC Number: 629-514-9

Properties

Computed structural properties

Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 65

Physicochemical properties

Melting point: 149 · 149-152 °C(lit.)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: Crystalline Powder or Crystals
color: Off-white to pink to light brown
InChI: InChI=1S/C6H6BrN.BrH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H
InChIKey: JQDNCGRNPYKRAO-UHFFFAOYSA-N
SMILES: C1(CBr)=NC=CC=C1.Br
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (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.；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 CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29333990
risk_code: 34-20/21/22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 22-26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: Ⅱ
Hazard statements: H314
Limited Quantities: 1 Kg (2.2 lbs) (solid)

Chemistry & industry

Applications · 2 items

Uses2-(Bromomethyl)pyridine hydrobromide may be used in the preparation of :2-[1-(pyridin-2-ylmethyl)-1H-1,2,3-triazol-4-yl]pyridine2-morpholin-4-yl-7-(pyridin-2-ylmethoxy)-4H-1,3-benzoxazin-4-one8-methyl-2-morpholin-4-yl-7-(pyridin-2-ylmethoxy)-4H-1,3-benzoxazin-4-onetrans-4-(4-(bis(pyridin-2-ylmethyl)amino)styryl)benzonitrile2-[N-(2-aminoethanethiol) methyl]-pyridine2-[N-(ethylenediamino)-methyl]-pyridine3-(carboxymethyl)-1-[(pyridin-2-yl)methyl]-3H-imidazol-1-ium trifluoroacetate3-[(S)-1-carboxy-2-methylpropyl]-1-[(pyridin-2-yl)methyl]-3H-imidazol-1-ium trifluoroacetate

General Description2-(Bromomethyl)pyridine hydrobromide is a pyridine derivative. It participates in the synthesis of 7-nitrobenz-2-oxa-1,3-diazole (NBD) based colorimetric and fluorescence chemosensor.