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6-Chlorouracil(CAS No. 4270-27-3)

6-Chlorouracil C4H3ClN2O2 (cas 4270-27-3) Molecular Structure

4270-27-3 Structure

Identification and Related Records

【Name】
6-Chlorouracil
【Iupac name】
6-chloro-1H-pyrimidine-2,4-dione
【CAS Registry number】
4270-27-3
【Synonyms】
6-Chloro-2,4-dihydroxypyrimidine
4-Chlorouracil
4-Chloro-2,6-dihydroxypyrimidine
【EINECS(EC#)】
224-258-0
【Molecular Formula】
C4H3ClN2O2 (Products with the same molecular formula)
【Molecular Weight】
146.53
【Inchi】
InChI=1/C4H3ClN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)
【InChIKey】
IUPAC Standard InChIKey: PKUFNWPSFCOSLU-UHFFFAOYSA-N
【Canonical SMILES】
C1=C(NC(=O)NC1=O)Cl
【MOL File】
4270-27-3.mol

Chemical and Physical Properties

【Appearance】
White powder
【Density】
1.61 g/cm3
【Melting Point】
290-295ºC
【Boiling Point】
300ºC
【Refractive Index】
1.635
【Flash Point】
ºC
【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】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S36
【HazardClass】
IRRITANT
【Hazard Note】
Irritant
【Safety】

Safety Information of 6-Chlorouracil (CAS NO.4720-27-3):
Hazard Codes: Xi Irritant
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
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Business Type:Manufacturer
Telephone:86-27-59887160

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