6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione

HCID 73273
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Basic information

CAS
18592-13-7
Standard SMILES
O=c1cc(CCl)[nH]c(=O)[nH]1
InChIKey
VCFXBAPEXBTNEA-UHFFFAOYSA-N
Molecular formula
C5H5ClN2O2
Average molar mass
160.56 g/mol
Monoisotopic mass
160.00395508

Names & identifiers

Preferred name
6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione
IUPAC
6-(chloromethyl)-1H-pyrimidine-2,4-dione
English name
6-(Chloromethyl)uracil
Molecular formula
C5H5ClN2O2
Molecular weight
160.56

Names & synonyms

18592-13-72,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)-4-(Chloromethyl)uracil4-chloromethyluracilDTXSID4066387RefChem:5396136-(Chloromethyl)-2,4(1H,3H)-pyrimidinedioneDTXCID9035880242-431-96-(Chloromethyl)uracil6-(chloromethyl)pyrimidine-2,4(1h,3h)-dione6-Chloromethyluracil
Show more names
Tipiracil-0026-(CHLOROMETHYLTIMTEC-BB SBB003961Tipiracil Impurity 145-CHLORO-6-METHYLURACIL6-methyl-5-chlorouracil6-Chloromethyluracil >6-(Chloromethyl)uracil,98%
6-(chloromethyl)-1H-pyrimidine-2,4-dioneMFCD000100956-(chloromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione6-(chloromethyl)-1,3-dihydropyrimidine-2,4-dione6-chloromethylpyrimidine-2,4-dioneEINECS 242-431-9Tipiracil Impurity 86-chloromethyl-uracil

Database identifiers

CAS
18592-13-7
PubChem CID
73273
DTXSID
DTXSID4066387
EC Number
242-431-9
Nikkaji
J208.250K

Properties

Computed structural properties

XLogP
-0.7
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Melting point
257 °C · 257 °C (dec.)(lit.)
Density
1.393 · 1.393±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
solubility
almost transparency in N,N-DMF
form
powder to crystal
pka
7.91 · 7.91±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 2,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29335990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)-: INACTIVE

Applications

Uses6-(Chloromethyl)uracil is an alkali-resistant protein adsorbent, suitable for medical procedures. it is also used in the synthesis of chlorophenyl hydroxypiperidine analogs having anti-amylatic activity.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]

Related reactions

42 records
New reaction record

Compound notes

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