6-Chloro-5-formyl-1,3-dimethyluracil

HCID 319971
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Basic information

CAS
35824-85-2
Standard SMILES
Cn1c(Cl)c(C=O)c(=O)n(C)c1=O
InChIKey
QETLJJSSAJXEIO-UHFFFAOYSA-N
Molecular formula
C7H7ClN2O3
Average molar mass
202.59 g/mol
Monoisotopic mass
202.01451976

Names & identifiers

Preferred name
6-Chloro-5-formyl-1,3-dimethyluracil
IUPAC
4-chloro-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde
English name
6-Chloro-5-formyl-1,3-dimethyluracil
Molecular formula
C7H7ClN2O3
Molecular weight
202.6

Names & synonyms

35824-85-26-Chloro-5-formyl-1,3-dimethyluracil6-Chloro-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehydeMFCD008481424-chloro-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehydeNSC266121SCHEMBL474385DTXSID70313058QETLJJSSAJXEIO-UHFFFAOYSA-NKBA82485STL200422AKOS015850037
Show more names
5-Pyrimidinecarboxaldehyde, 6-chloro-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-
NSC-266121SB58036SY174062CS-0216661EN300-538126-Chloro-5-formyl-1,3-dimethyluracil, AldrichCPRF2173-2358Z802897698

Database identifiers

CAS
35824-85-2
PubChem CID
319971
DTXSID
DTXSID70313058
Nikkaji
J314.749E

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
57.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Boiling point
265.9 · 265.9±50.0 °C(Predicted)
Density
1.49 · 1.49±0.1 g/cm3(Predicted)
pka
-4.55 · -4.55±0.60(Predicted)
form
solid
InChI
1S/C7H7ClN2O3/c1-9-5(8)4(3-11)6(12)10(2)7(9)13/h3H,1-2H3
InChIKey
QETLJJSSAJXEIO-UHFFFAOYSA-N

Safety & regulation

Safety data

wgk
3
Storage Class
11 - Combustible Solids

Chemistry & industry

Upstream & downstream products

Suppliers5 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]

Related reactions

19 records
New reaction record

Compound notes

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