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Home> Encyclopedia > Hot Product Listed 4   > 4-Pyridinamine,2-bromo-
7598-35-8 structure

4-Pyridinamine,2-bromo-

Iupac Name:2-bromopyridin-4-amine
CAS No.:7598-35-8
Molecular Weight:173.013
Molecular Formula:C5H5BrN2 (isomer)
Properties
Appearance
Light yellow crystal
Density
1.71
Melting Point
92-96℃
Boiling Point
321.3 °C at 760 mmHg
Flash Point
321.3 °C at 760 mmHg
HS Code
2933399090
Safety and Handling
Hazard Codes
Xi
Risk Statements
R22;R37/38;R41
Safety Statements
S26;S36/37/39
Hazard Note
H302; H315; H318; H335
Safety
Hazard Codes:Xn,Xi
Risk Statements:22-37/38-41-36/37/38-20/21/22
22:Harmful if swallowed
37/38:Irritating to eyes, respiratory system and skin
41:Risk of serious damage to eyes
36/37/38:Irritating to eyes, respiratory system and skin
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
Safety Statements:26-36/37/39-36/37/38-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
36:Wear suitable protective clothing
WGK Germany:3
HazardClass:IRRITANT
Hazard Note:Harmful/Irritant
Specification

The IUPAC name of?2-Bromo-4-aminopyridine is?2-bromopyridin-4-amine. With the?CAS registry number 7598-35-8,?it is also named as 4-Pyridinamine, 2-bromo-.?The product's categories are?pyridine; pyridines, pyrimidines, purines and pteredines; pyridine series; amines; pyridines; pyridines derivates. It is?light yellow crystal which should be stored in the sealed container.

The other characteristics of this product can be summarized as:?(1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 6.06; (6)ACD/BCF (pH 7.4): 7.52; (7)ACD/KOC (pH 5.5): 118.85; (8)ACD/KOC (pH 7.4): 147.33; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 36.27 cm3; (14)Molar Volume: 101.1 cm3; (15)Polarizability: 14.37 10-24 cm3; (16)Surface Tension: 56.9 dyne/cm; (17)Enthalpy of Vaporization: 56.3 kJ/mol; (18)Vapour Pressure: 0.000301 mmHg at 25°C; (19)Tautomer Count: 2; (20)Exact Mass: 171.963611; (21)MonoIsotopic Mass: 171.963611; (22)Topological Polar Surface Area: 38.9; (23)Heavy Atom Count: 8; (24)Complexity: 76.8.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed.?And it is irritating to eyes, respiratory system and skin,?particularly?risk of serious damage to the eyes.?In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: c1cnc(cc1N)Br;
2.?InChI: InChI=1/C5H5BrN2/c6-5-3-4(7)1-2-8-5/h1-3H,(H2,7,8).

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H318 Causes serious eye damage

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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.

P310 Immediately call a POISON CENTER/doctor/\u2026

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

Precursor and Product
Computational chemical data
  • Molecular Weight:173.013g/mol
  • Molecular Formula:C5H5BrN2
  • Compound Is Canonicalized:True
  • Exact Mass:171.964
  • Monoisotopic Mass:171.964
  • Complexity:76.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38.9A^2
  • Heavy Atom Count:8
  • 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: AAADcYBjAAAAEAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHABQAAABOAjBEgQ8wJJIEACg ADRnRACCgCAxAiQI2CA4ZLgIIGLA0dGEJAhgkADIyhYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
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  • Tel:86-21-34226250
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