Related Searches: 4-Pyridinamine,2-bromo-, 2-Pyridinamine,5-bromo-6-methyl-, 2-Pyridinamine,5-bromo-3-nitro-, 4-Bromo-2-methylpyridine, 4-Bromo-2-fluorotoluene, View all

4-Pyridinamine,2-bromo-(CAS No. 7598-35-8)

4-Pyridinamine,2-bromo- C5H5BrN2 (cas 7598-35-8) Molecular Structure

7598-35-8 Structure

Identification and Related Records

【Name】
4-Pyridinamine,2-bromo-
【Iupac name】
2-bromopyridin-4-amine
【CAS Registry number】
7598-35-8
【Synonyms】
Pyridine,4-amino-2-bromo- (6CI,7CI,8CI)
2-Bromo-4-aminopyridine
2-Bromopyridin-4-amine
2-Bromopyridin-4-ylamine
NSC404690
【Molecular Formula】
C5H5BrN2 (Products with the same molecular formula)
【Molecular Weight】
173.01
【Inchi】
InChI=1S/C5H5BrN2/c6-5-3-4(7)1-2-8-5/h1-3H,(H2,7,8)
【Canonical SMILES】
C1=CN=C(C=C1N)Br
【MOL File】
7598-35-8.mol

Chemical and Physical Properties

【Appearance】
Light yellow crystal
【Density】
1.71 g/cm3
【Melting Point】
92-96℃
【Boiling Point】
321.3 °C at 760 mmHg
【Flash Point】
321.3 °C at 760 mmHg
【Computed Properties】
Molecular Weight:173.0106 [g/mol]
Molecular Formula:C5H5BrN2
XLogP3-AA:1.2
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:171.963611
MonoIsotopic Mass:171.963611
Topological Polar Surface Area:38.9
Heavy Atom Count:8
Formal Charge:0
Complexity:76.8
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R22;R37/38;R41
【Safety Statements 】
S26;S36/37/39
【HazardClass】
IRRITANT
【Hazard Note】

Harmful/Irritant

【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).

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member FORT ST BIOLOGICAL TECHNOLOGY LIMITED
Country:ChinaChina
Business Type:Trading Company
Telephone:86-311-13292230735
Diamond member Shanghai Do Chemical Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-33758180
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-85829152
Diamond member Nanjing Chemlin Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-83697070
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Hui Chem Company Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-60542966
Finetech Industry limited.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-87465837
Struchem Co Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-512-63009836

Quick Search

Cas    Name

Related products

4-Pyridinamine,2-bromo-6-ethoxy-

4-Pyridinamine,2-bromo-6-ethoxy-(9CI)

4-Pyridinamine,3-bromo-2-chloro-

4-AMINO-3-BROMO-2-CHLOROPYRIDINE

4-Pyridinamine,5-bromo-2-methyl-

3-Bromo-6-methyl-4-pyridinamine;4-Amino-5-bromo-2-methylpyridine

2-Pyridinamine,5-bromo-4-methyl-

4-Picoline,2-amino-5-bromo- (6CI);2-Amino-5-bromo-4-picoline;5-Bromo-4-methylpyridin-2-amine;

3-Pyridinamine,4-bromo-2-methyl-

6-Bromo-5-amino-2-picoline

3-Pyridinamine,2-bromo-4-methyl-

2-Bromo-3-amino-4-methylpyridine;3-Amino-2-bromo-4-methylpyridine;

2-Pyridinamine,5-bromo-4-chloro-

(5-Bromo-4-chloropyridin-2-yl)amine;

2-Pyridinamine,6-bromo-4-methyl-

4-Picoline,2-amino-6-bromo- (7CI); 6-Amino-2-bromo-4-methylpyridine;6-Bromo-4-methylpyridin-2-ylamine

2-Pyridinamine,4-bromo-3,5,6-trifluoro-

Pyridine,2-amino-4-bromo-3,5,6-trifluoro- (7CI,8CI)

2-Pyridinamine,3-bromo-4-methyl-

2-Amino-3-bromo-4-methylpyridine;3-Bromo-4-methylpyridin-2-ylamine