5-Bromocytosine

HCID 75233CAS 2240-25-7

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Basic information

Standard SMILES: Nc1[nH]c(=O)ncc1Br
InChIKey: QFVKLKDEXOWFSL-UHFFFAOYSA-N
Molecular formula: C4H4BrN3O
Average molar mass: 190 g/mol
Monoisotopic mass: 188.95377385

Names & identifiers

Preferred name: 5-Bromocytosine
IUPAC: 6-Amino-5-bromopyrimidin-2(1H)-one
English name: 6-Amino-5-bromopyrimidin-2(1H)-one
Molecular formula: C4H4BrN3O
Molecular weight: 190

Names & synonyms

4-Amino-5-bromopyrimidin-2(1H)-one5-BROMOCYTOSINETIMTEC-BB SBB0002805-Bromocytosine,99%5-BROMOCYTOSINE 99%5-Bromocytosine ,97%5-BROMOCYTOSINE CRYSTALLINE4-amino-5-bromo-pyrimidin-2-ol5-Bromocytosine, 10 mM in DMSO4-amino-5-bromo-2(1h)-pyrimidinon

Database identifiers

CAS: 2240-25-7
PubChem CID: 75233
DTXSID: DTXSID60176932
ChEMBL: CHEMBL184965
UNII: 2737MSZ714
EC Number: 218-806-8
Nikkaji: J209.448G

Properties

Physicochemical properties

Melting point: 240 · 240-243 °C (dec.) (lit.)
Density: 1.7513 · 1.7513 (rough estimate)
refractive index: 1.652 · 1.6520 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in formic acid (50 mg/ml).
form: Solid
pka: 7.34 · 7.34±0.10(Predicted)
color: White to yellow
BRN: 127286 · 127286
InChI: InChI=1S/C4H4BrN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKey: QFVKLKDEXOWFSL-UHFFFAOYSA-N
SMILES: C1(=O)NC(N)=C(Br)C=N1
FDA UNII: 2737 MSZ714 · 2737MSZ714
NIST Chemistry Reference: 5 · 5-Bromocytosine(2240-25-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H317-H318-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xn
Risk Statements: 22 · 22-37/38-41-43-48-20/21/22
Safety Statements: 24 · 24/25-22-36/37/39-26-45-7/8
WGK Germany: 3 · 3
F: 10 · 10-23
HS Code: 29335990 · 29335990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

Safety data

F: 10-23
wgk: 3
hs_code: 29335990
risk_code: 22-37/38-41-43-48-20/21/22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn
safety_code: 24/25-22-36/37/39-26-45-7/8
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H317-H318-H335
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses4-Amino-5-bromo-2-hydroxypyrimidine can be used in the synthesis of cross-link products under anaerobic and aerobic conditions.

Uses5-Bromocytosine was used in the synthesis of five cross-link products- C[5-N6]A, C[5-2]A, C[5-8]A, A[2-5]C, and A[8-5]C, under both aerobic and anaerobic conditions.

General Description5-Bromocytosine derivative (β isomer) is a potent anti-HIV agent.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

Nanjing Kaitian Chemical Co., LTD+86-13337816511 +86-13337835376 · [email protected]

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