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Home> Encyclopedia >Pharmaceutical Intermediates>Organic Intermediate>Agrochemical Intermediates
5-Bromo-2-methoxypyridine structure
5-Bromo-2-methoxypyridine structure

5-Bromo-2-methoxypyridine

Iupac Name:5-bromo-2-methoxypyridine
CAS No.: 13472-85-0
Molecular Weight:188.024
Modify Date.: 2022-11-01 06:35
Introduction: The structural unit of the β-alanine portion of the αvβ3 antagonist is also the structural unit for the synthesis of a potent and selective somatostatin sst3 receptor antagonist. View more+
1. Names and Identifiers
1.1 Name
5-Bromo-2-methoxypyridine
1.2 Synonyms

(E)-N-(pyridin-3-ylmethylene)methanamine 2-Methoxy -5-pyridyl broMide 2-Methoxy-5-Bromopyridine 2-METHOXY-5-BROMOPYRIDINE 5-BROMO-2-METHOXY-PYRIDINE 2-methoxyl-5-bromopyridine 2-METHYLOXY-5-BROMOPYRIDINE 3-BROMO-6-METHOXYPYRIDINE 5-Bromo-2-methoxypyr 5-Bromo-2-methoxy-pyridine MFCD01318952 Pyridine, 5-bromo-2-methoxy- PYRIDINE,5-BROMO-2-METHOXY

1.3 CAS No.
13472-85-0
1.4 CID
2734895
1.5 EINECS(EC#)
603-856-9
1.6 Molecular Formula
C6H6BrNO (isomer)
1.7 Inchi
InChI=1S/C6H6BrNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
1.8 InChkey
XADICJHFELMBGX-UHFFFAOYSA-N
1.9 Canonical Smiles
COC1=NC=C(C=C1)Br
1.10 Isomers Smiles
COC1=NC=C(C=C1)Br
2. Properties
2.1 Density
1.453
2.1 Melting point
80°C (12 mmHg)
2.1 Boiling point
80℃ (12 mmHg)
2.1 Refractive index
1.554-1.556
2.1 Flash Point
96℃
2.1 Precise Quality
186.96300
2.1 PSA
22.12000
2.1 logP
1.85270
2.1 Appearance
colorless transparent liquid
2.2 Storage
Ambient temperatures.
2.3 Chemical Properties
Light yellow liquid 5-Bromo-2-methoxypyridine Preparation Products And Raw materials Preparation Products
2.4 Color/Form
Colorless to Yellow Liquid
2.5 pKa
1.04±0.10(Predicted)
2.6 StorageTemp
Inert atmosphere,Room Temperature
3. Safety and Handling
3.1 Symbol
GHS07
3.1 Hazard Codes
Xn
3.1 Signal Word
Warning
3.1 Risk Statements
R20/21/22;R36/37/38
3.1 Safety Statements
S26;S36/37/39
3.1 Hazard Class
IRRITANT
3.1 Hazard Declaration
H315-H319-H335
3.1 RIDADR
NONH for all modes of transport
3.1 Caution Statement
P261-P305 + P351 + P338
3.1 WGK Germany
3
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

7. Other Information
7.0 BRN
115150
7.1 Chemical Properties
Light yellow liquid
7.2 Uses
A building block for the β-alanine moiety of an αvβ3 antagonist and for the synthesis of a potent and selective somatostatin sst3 receptor antagonist.
8. Computational chemical data
  • Molecular Weight: 188.024g/mol
  • Molecular Formula: C6H6BrNO
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 186.96328
  • Monoisotopic Mass: 186.96328
  • Complexity: 89.1
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 22.1
  • Heavy Atom Count: 9
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcYBiIAAAEAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgBAAAABqADBkgY+hJIIFACgADBnRACCiCAxIiQI2CA+bLgMJuLEsZuEMChkwBHI6haQEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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