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5-Chlorouracil(CAS No. 1820-81-1)

5-Chlorouracil C4H3ClN2O2 (cas 1820-81-1) Molecular Structure

1820-81-1 Structure

Identification and Related Records

【Name】
5-Chlorouracil
【Iupac name】
5-chloro-1H-pyrimidine-2,4-dione
【CAS Registry number】
1820-81-1
【Synonyms】
2,4 (1H,3H)-Pyrimidinedione, 5-chloro-
2,4(1H,3H)-Pyrimidinedione, 5-chloro-
Uracil, 5-chloro- (VAN) (8CI)
Uracil, 5-chloro-
5-Chloro-2,4-pyrimidinedione
5-Chlorouracil,5-Chloro-2,4-dihydroxypyrimidine
【EINECS(EC#)】
217-339-7
【Molecular Formula】
C4H3ClN2O2 (Products with the same molecular formula)
【Molecular Weight】
146.53
【Inchi】
InChI=1/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
【InChIKey】
ZFTBZKVVGZNMJR-UHFFFAOYSA-N
【Canonical SMILES】
C1=C(C(=O)NC(=O)N1)Cl
【MOL File】
1820-81-1.mol

Chemical and Physical Properties

【Appearance】
white crystals
【Density】
1.61 g/cm3
【Melting Point】
>300℃
【Vapour】
1.98E-07mmHg at 25°C
【Refractive Index】
1.587
【Flash Point】
203.9 °C
【Water】
slightly soluble
【Solubilities】
slightly soluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29335995
【Storage temp】
Store in a cool, dry place. Store in a tightly closed container.
【Computed Properties】
Molecular Weight:146.53182 [g/mol]
Molecular Formula:C4H3ClN2O2
XLogP3:-0.3
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:9
Exact Mass:145.988305
MonoIsotopic Mass:145.988305
Topological Polar Surface Area:58.2
Heavy Atom Count:9
Formal Charge:0
Complexity:199
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:2
Feature 3D Donor Count:2
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
UN NO.
【Risk Statements】
R36/37/38
【Safety Statements 】
S22;S24/25
【Transport】
25kgs

Use and Manufacturing

【Usage】

Used for the experimental and clinical treatment of neoplastic and viral diseases

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member Wuhan Fortuna Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-27-59207850
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Finetech Industry limited.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-87465837
Capot Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-85586718
Wuhan Dahua Weiye Pharmaceutical Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-59887160
Shanghai Hope Chem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-61723543
Jinan Haohua Industry Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-531-58773055
Wuhan Senwayer Century chemical Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-59009407

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