3-Bromo-4-methylpyridine (HCID 817630)

Names & identifiers

Preferred name: 3-Bromo-4-methylpyridine
IUPAC: 3-bromo-4-methylpyridine
English name: 3-Bromo-4-methylpyridine
Molecular formula: C6H6BrN
Molecular weight: 172.02

Names & synonyms

3-Bromo-4-methylpyridine3430-22-6DTXSID80355828RefChem:93180DTXCID50306887608-967-63-Bromo-4-picoline4-Methyl-3-bromopyridinePYRIDINE, 3-BROMO-4-METHYL-MFCD000825923-Bromo-4-methyl-pyridineSCHEMBL314379

Show more names

Bromomethylpyridine4-Methyihebio3-Bromo-4-methylpyri3-Bromo-4-methylpyridins3--4- MethylpyridinebroMide

3-Bromo-4-methylpyridine, 96%BR1702CS-W019971SY005820AC-907/250141093-Bromo-4-methylpy3-bromo4-methylpyridineTofacitinib Intermediates

Database identifiers

CAS: 3430-22-6
PubChem CID: 817630
DTXSID: DTXSID80355828
UNII: Z5F2SPZ2AD
EC Number: 608-967-6
Nikkaji: J1.803.224D

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 74.9

Physicochemical properties

Boiling point: 199 · 199-200 °C(lit.)
Density: 1.549 g/mL · 1.549 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.56(lit.)
Flash point: 175 °F · 175 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform, Methanol
pka: 3.54 · 3.54±0.18(Predicted)
form: Liquid
Specific Gravity: 1.549 · 1.549
color: Clear colorless to yellow
BRN: 878354 · 878354
InChI: InChI=1S/C6H6BrN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
InChIKey: GSQZOLXWFQQJHJ-UHFFFAOYSA-N
SMILES: C1=NC=CC(C)=C1Br
CAS DataBase Reference: 3430 · 3430-22-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36-2636
RIDADR: Cool, dry,tightly closed
WGK Germany: 3 · 3
HazardClass: IRRITANT
PackingGroup: III
HS Code: 29339900 · 29339900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: Cool, dry,tightly closed
hs_code: 29339900
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36-2636
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesAn intermediate of pyridinyl pyrrole compounds as proton pump inhibitors with improved gastric acid secretion suppressive activity

Uses3-Bromo-4-methylpyridine may be used as a building block in the preparation of:substituted 4-(2,2-diphenylethyl)pyridine-N-oxides for use as potent phosphodiesterase type 4 (PDE4) inhibitorsbenzodiazepine site ligands bearing tricyclic pyridone moiety for human GABAA receptora novel isomer of ascididemin3-bromopyridine-4-carbonitrile

Upstream & downstream products

Upstream raw materials

Downstream products

4-Bromo-3-methylpyridine 4-Methyl-3-methylaminopyridine 4-Bromopyridine 4-Methyl-3-(trifluoromethyl)pyridine 3-(1-Ethoxyvinyl)-4-Methylpyridine methyl 4-bromo-5-methylH-pyrazolo[1,5-a]pyridine-3-carboxylate 3-cyclopropyl-4-methylpyridine 1-methyl-4-((4-methylpyridin-3-yl)methyl)piperazine

Suppliers50 total

阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]

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]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

59 records

New reaction record

HRID 12733As reactantuspto-grants-2010_06

HRID 61378As reactantuspto-grants-2016_09

HRID 87096As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 91506As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 110409As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 143180As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 158594As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 178298As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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Basic information