6-Methyl-5-nitrouracil

HCID 85523CAS 16632-21-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]
InChIKey
LIVYMRJSNFHYEN-UHFFFAOYSA-N
Molecular formula
C5H5N3O4
Average molar mass
171.11 g/mol
Monoisotopic mass
171.02800565

Names & identifiers

Preferred name
6-Methyl-5-nitrouracil
IUPAC
6-methyl-5-nitro-1H-pyrimidine-2,4-dione
English name
5-Nitro-6-methyluracil
Molecular formula
C5H5N3O4
Molecular weight
171.11

Names & synonyms

6-Methyl-5-nitrouracil2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-EINECS 240-688-1DTXSID80168091NSC 40201RefChem:543939DTXCID6090582240-688-15-Nitro-6-methyluracil16632-21-66-methyl-5-nitropyrimidine-2,4(1H,3H)-dione2,4-Dihydroxy-6-methyl-5-nitropyrimidine
Show more names
6-Methyl-5-Nit-5-nitropyrimidine2,4-Dihydroxy-6-methyL6-Methyl-5-nitrouracil >5-Nitro-6-methyluracil ,98%2,4-Dihydroxy-6-methyl-5-Nitro
6-Metyl-5-nitrouracil88890-66-86-methyl-5-nitro-1H-pyrimidine-2,4-dione6-methyl-5-nitropyrimidine-2,4-diolMFCD00051201Uracil, 6-methyl-5-nitro-4-Methyl-5-nitrouracilNSC-40201

Database identifiers

CAS
16632-21-6
PubChem CID
85523
DTXSID
DTXSID80168091
ChEMBL
CHEMBL3275229
UNII
4JYR9ZTY2D
EC Number
240-688-1
Nikkaji
J236.346A

Properties

Computed structural properties

XLogP
-0.6
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
290 · 290-291°C dec.
Density
1.58 · 1.58±0.1 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
solubility
DMF, DMSO, Hot Methanol, Hot Water
pka
6.24 · 6.24±0.10(Predicted)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (97.6%)；STOT SE 3 (97.6%)

Regulatory information

Regulatory Information2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

wgk
3
hs_code
29335990
risk_code
22-37/38-41-40
Signal word
Warning
Symbol(GHS)
GHS07,GHS05
hazard_code
Xn

Chemistry & industry

Applications

UsesA synthetic intermediate

Uses5-Nitro-6-methyluracil, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Upstream & downstream products

Suppliers50 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]
上海策嵘生物科技有限公司[email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

9 records
New reaction record

Linked notes

Loading…