5-Iodocytosine

HCID 14281CAS 1122-44-7

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Basic information

Standard SMILES: Nc1[nH]c(=O)ncc1I
InChIKey: UFVWJVAMULFOMC-UHFFFAOYSA-N
Molecular formula: C4H4IN3O
Average molar mass: 237 g/mol
Monoisotopic mass: 236.93990975

Names & identifiers

Preferred name: 5-Iodocytosine
IUPAC: 6-Amino-5-iodopyrimidin-2(1H)-one
English name: 5-Iodocytosine
Molecular formula: C4H4IN3O
Molecular weight: 237

Names & synonyms

IODOCYTOSINE5-iodo-cytosin5-Iodocytosine5-iodocytomidineCytosine, 5-iodo-5-Iodocytosine ,98%5-IODOCYTOSINE USP/EP/BP4-Amino-5-iodopyrimidin-2(1H)6-amino-5-iodo-1H-pyrimidin-2-one4-Amino-5-iodopyrimidin-2(1H)-one

Database identifiers

CAS: 1122-44-7
PubChem CID: 14281
DTXSID: DTXSID40149947
EC Number: 625-390-5
Nikkaji: J13.803G

Properties

Physicochemical properties

Density: 2.65 · 2.65±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility: 50 mg/mL · formic acid: 50mg/mL
pka: 7.58 · 7.58±0.10(Predicted)
form: powder
Appearance: Off-white to light yellow Solid
biological source: synthetic (organic)
InChI: 1S/C4H4IN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKey: UFVWJVAMULFOMC-UHFFFAOYSA-N
SMILES: [H]N1C=C(I)C(N)=NC1=O
EWG's Food Scores: 1 · 1
UNSPSC Code: 41106305 · 41106305
NACRES: 51 · NA.51
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P501
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
RTECS: 6125000 · HA6125000
F: 8 · 8-10-23
HS Code: 29335990 · 29335990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral
Toxicity: 50 mg/kg · mouse,LDLo,intraperitoneal,50mg/kg (50mg/kg),Biochemical Pharmacology. Vol. 13, Pg. 1249, 1964.

Safety & regulation

Safety data

F: 8-10-23
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: HA6125000
hs_code: 29335990
Toxicity: mouse,LDLo,intraperitoneal,50mg/kg (50mg/kg),Biochemical Pharmacology. Vol. 13, Pg. 1249, 1964.
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P301+P312-P501

Chemistry & industry

Applications

Uses6-Amino-5-iodopyrimidin-2(1H)-one is an iodinated nucleobase for peptide modified nucleic acids.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

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