5-Bromo-2'-deoxycytidine

Basic Information

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CAS Number

1022-79-3

Molecular Formula

C9H12BrN3O4

Molecular Weight

306.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

510.8°C at 760 mmHg

Density

2.12

Flash Point

262.7 °C

Refractive Index

1.763

SMILES

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C1C(C(OC1N2C=C(C(=NC2=O)N)Br)CO)O

InChI

InChI=1S/C9H12BrN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1

InChIKey

KISUPFXQEHWGAR-RRKCRQDMSA-N

LogP

-0.7713000000000005

Topological Polar Surface Area

110.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

398

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Brcdr
CS-W012092
5-Bromo-dCrd
5BT
MFCD00047496
C.A.S. 1,022,793
5-Bromodeoxycytidine
AC-32305
C9H12BrN3O4
KISUPFXQEHWGAR-RRKCRQDMSA-N
4-Amino-5-bromo-1-((2R,4S,5R)-4-hydroxy-5-(hydroxy-methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
CYTIDINE, 5-BROMO-2'-DEOXY-
Q27265134
HG1358
4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
6M3TP1AIBH
5-Bromo-2'-deoxycytidine
BCDR
UNII-6M3TP1AIBH
A855744
SCHEMBL197813
4-Amino-5-bromo-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
NSC 61765
5-bromo-2'-deoxy-d-cytidine
CHEMBL386413
EINECS 213-824-2
1022-79-3
AKOS015833979
4-AMINO-5-BROMO-1-((2R,4S,5R)-4-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL)PYRIMIDIN-2-ONE
4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
BRN 0027385

MDL Number

MFCD00047496

FAQ

What regulatory guidelines apply to 5-Bromo-2'-deoxycytidine (CAS: 1022-79-3)?

5-Bromo-2'-deoxycytidine (CAS: 1022-79-3) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements for laboratory chemicals. Specific handling, storage, and disposal practices must adhere to these guidelines to ensure safety and compliance.

Are there alternatives to 5-Bromo-2'-deoxycytidine (CAS: 1022-79-3) in synthesis?

5-Bromo-2'-deoxycytidine (CAS: 1022-79-3) can be synthesized using analogs such as 5-iodo-2'-deoxycytidine or 5-chloro-2'-deoxycytidine. Other alternatives include using bromine-containing reagents like bromoacetic acid as an alternative to direct bromination.

What is the market or research trend for 5-Bromo-2'-deoxycytidine (CAS: 1022-79-3)?

The market for 5-Bromo-2'-deoxycytidine (CAS: 1022-79-3) is driven by its applications in research and development, particularly in molecular biology and biotechnology. Recent trends indicate increased interest in its use as a DNA modification agent, with ongoing research focusing on its role in epigenetic studies and potential therapeutic applications.

How should waste containing 5-Bromo-2'-deoxycytidine (CAS: 1022-79-3) be handled?

Waste containing 5-Bromo-2'-deoxycytidine (CAS: 1022-79-3) should be collected in appropriate containers and stored separately. Incineration or professional waste disposal services should be utilized for safe disposal. Environmental protection measures must be followed to minimize the risk of contamination. Proper labeling and documentation are essential for compliance with regulatory requirements.