2,6-Bis(bromomethyl)pyridine

HCID 603610

Notes Reactions

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Basic information

CAS: 7703-74-4
Standard SMILES: BrCc1cccc(CBr)n1
InChIKey: QUTSYCOAZVHGGT-UHFFFAOYSA-N
Molecular formula: C7H7Br2N
Average molar mass: 264.94 g/mol
Monoisotopic mass: 262.89452342

Names & identifiers

Preferred name: 2,6-Bis(bromomethyl)pyridine
IUPAC: 2,6-bis(bromomethyl)pyridine
English name: 2,6-Bis(bromomethyl)pyridine
Molecular formula: C7H7Br2N
Molecular weight: 264.95

Names & synonyms

2,6-Bis(bromomethyl)pyridine7703-74-4DTXSID70345314RefChem:445219DTXCID80296388628-946-5MFCD00191795Pyridine, 2,6-bis(bromomethyl)-2,6-Di(bromomethyl)pyridine2,6-Bis(bromomethyl)pyridine #alpha,alpha'-dibromo-2,6-lutidineAS-40739

Show more names

SKL6502,6-Bis(bromoethyl)pyridine2,6-Bis(broMoMethyl)pyridine 98%2,6-Bis(bromomethyl)pyridine >alpha,alpha'-Dibromo-2,6-lutidine2,6-BIS(BROMOMETHYL)PYRIDINE ISO 9001：2015 REACH

SY053771EN300-194164AM8043442,6-Bis(bromomethyl)pyridA846454SCHEMBL245158ALBB-023566SBB071671

Database identifiers

CAS: 7703-74-4
PubChem CID: 603610
DTXSID: DTXSID70345314
EC Number: 628-946-5
Nikkaji: J752.400E

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 87.6

Physicochemical properties

Melting point: 85 · 85-87 °C(lit.)
Boiling point: 275.6 · 275.6±30.0 °C(Predicted)
Density: 1.87 · 1.870±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to crystaline
pka: 1.65 · 1.65±0.24(Predicted)
color: White to Almost white
InChI: InChI=1S/C7H7Br2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2
InChIKey: QUTSYCOAZVHGGT-UHFFFAOYSA-N
SMILES: C1(CBr)=NC(CBr)=CC=C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 3335 · UN 3335
WGK Germany: 3 · 3
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

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 · 4 items

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 3335
hs_code: 29333990
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2,6-Bis(bromomethyl)pyridine may be used in the preparation of the following:a new pyridine-pyrazole derivative, 2,6-bis(3,5-diphenylpyrazol-1-ylmethyl)pyridinea large macrocyclic ligand, N(1),N(7)-pyridine-2,6-dimethyl-N(2),N(6)-bis(6-(3-(1H-benzo[d]imidazol-1-yl)propanamido)pyridin-2-yl)pyridine-2,6-dicarboxamide dibromidesmall-ring, potentially tridentate Se(2)N(pyridyl)-donor macrocycles

General DescriptionCrystal of 2,6-bis(bromomethyl)pyridine has the molecules related by a c-glide-plane operation. Molecules are arranged into stacks along the c axis. It participates in the synthesis of dicationic imidazolium-linked cyclophane.

Upstream & downstream products

Upstream raw materials

Downstream products

2,6-bis((1H-imidazol-1-yl)methyl)pyridine

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Related reactions

27 records

New reaction record

HRID 111140As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 156380As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 282119As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 403052As reactantuspto-grants-2014_06

HRID 550076As reactantuspto-grants-2011_05

HRID 592120As reactantuspto-grants-2016_01

HRID 667159As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 876954As reactantuspto-grants-2015_03

Compound notes

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