Basic information
- CAS
1461-67-2- Standard SMILES
Cc1[nH]c(=O)[nH]c(=O)c1I- InChIKey
SYWCZCQBZPXNIV-UHFFFAOYSA-N- Molecular formula
- C5H5IN2O2
- Average molar mass
- 252.01 g/mol
- Monoisotopic mass
- 251.9395754
Names & identifiers
- Preferred name
- 5-Iodo-6-methyluracil
- IUPAC
- 5-iodo-6-methyl-1H-pyrimidine-2,4-dione
- English name
- 5-IODO-6-METHYLURACIL
- Molecular formula
- C5H5IN2O2
- Molecular weight
- 252.01
Names & synonyms
5-Iodo-6-methyluracilDTXSID80313064RefChem:536373DTXCID80264188634-305-01461-67-25-Iodo-6-methylpyrimidine-2,4(1H,3H)-dione5-iodo-6-methyl-1H-pyrimidine-2,4-dione5-iodo-6-methylpyrimidine-2,4-diol2,4(1H,3H)-Pyrimidinedione, 5-iodo-6-methyl-MFCD001922295-iodo-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Show more names
NSC2661385-iodo-6-methyl uracil5-iodo-6-methyl-1,3-dihydropyrimidine-2,4-dioneSCHEMBL1164122SCHEMBL5163518MFCD125461555-Iodo-6-methyl-2,4-pyrimidinediolAKOS015917013
Database identifiers
- CAS
1461-67-2- PubChem CID
- 319986
- DTXSID
DTXSID80313064- EC Number
- 634-305-0
- Nikkaji
- J1.909.724B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 280 °C · 280 °C (dec.)(lit.)
- Density
- 2.17 · 2.17±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 8.07 · 8.07±0.10(Predicted)
- Appearance
- White to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 40 · 40-42/43
- Safety Statements
- 22 · 22-26-36
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P318, P321, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- wgk
- 3
- risk_code
- 40-42/43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-26-36
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers33 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海市凯瑜琳医药科技有限公司021-18721936-595 18721936595 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
Related reactions
2 records
Compound notes
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