Basic information
- CAS
480-68-2- Standard SMILES
O=C1NC(=O)C([N+](=O)[O-])C(=O)N1- InChIKey
ABICJYZKIYUWEE-UHFFFAOYSA-N- Molecular formula
- C4H3N3O5
- Average molar mass
- 173.08 g/mol
- Monoisotopic mass
- 173.0072702
Names & identifiers
- Preferred name
- 5-Nitrobarbituric acid
- IUPAC
- 5-nitro-1,3-diazinane-2,4,6-trione
- English name
- 5-Nitrobarbituric acid
- Molecular formula
- C4H3N3O5
- Molecular weight
- 173.08
Names & synonyms
5-NITROBARBITURIC ACID480-68-2Dilituric acid2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-5-Nitro-2,4,6(1H,3H,5H)-pyrimidinetrioneNSC-50718WZ923176VDTXSID0060062RefChem:103264DTXCID0040599207-557-05-nitropyrimidine-2,4,6(1h,3h,5h)-trione
Show more names
AKOS 89968AURORA KA-38295-NitrobarbitursαureNITROBARBITURIC ACID5-Nitrobarbiuricacid5-nitro-barbituricaci5-Nitrobarbituric Acid 5-NITROPRIMIDINE-2,4,6-TRIOL
5-nitro-1,3-diazinane-2,4,6-trione5-Nitro-6-hydroxyuracilBarbituric acid, 5-nitro-MFCD000066675-Nitrohexahydropyrimidine-2,4,6-trione5-nitro-1,3,5-trihydropyrimidine-2,4,6-trioneNSC 5071EINECS 207-557-0
Database identifiers
- CAS
480-68-2- PubChem CID
- 10195
- DTXSID
DTXSID0060062- ChEMBL
CHEMBL112392- UNII
- 8WZ923176V
- EC Number
- 207-557-0
- Nikkaji
- J6.169G
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 180.5 °C · 180.5°C
- Boiling point
- 303.69 °C · 303.69°C (rough estimate)
- Density
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- refractive index
- 1.5 · 1.5000 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- pka
- -1.7 · -1.70±0.20(Predicted)
- form
- Solid
- color
- Off-white to light yellow
- Merck
- 6585 · 6585
- CAS DataBase Reference
- 480 · 480-68-2(CAS DataBase Reference)
- FDA UNII
- 8 WZ923176V · 8WZ923176V
- EPA Substance Registry System
- 2 · 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro- (480-68-2)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39-36
- RTECS
- 7300000 · CQ7300000
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29335400 · 29335400
Safety & regulation
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- CQ7300000
- hs_code
- 29335400
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39-36
- hazard_class
- IRRITANT
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-: INACTIVE
Applications
UsesMicroreagent for potassium.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers98 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]
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环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
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Aladdin Scientific[email protected]
Wuhan Konberd Biotech Co., Ltd+undefined-18986093962 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
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安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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重庆科脉材料科技有限公司17830741407 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
青岛海力诺化工有限公司198 6221 1367 18561921626
杭州东帆化学有限公司86-0571-85151182
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
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TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
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上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
南京沛微生物科技有限公司025-57027729 15850702895
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Related reactions
1 records
Compound notes
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