Basic information
- CAS
5690-24-4- Standard SMILES
O=C1NC(=O)c2ccc3c4c(ccc1c24)C(=O)NC3=O- InChIKey
BODUWJSFPLUDMP-UHFFFAOYSA-N- Molecular formula
- C14H6N2O4
- Average molar mass
- 266.21 g/mol
- Monoisotopic mass
- 266.03275668
Names & identifiers
- Preferred name
- 1,4,5,8-Naphthalenetetracarboxylic acid diimide
- IUPAC
- 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
- English name
- 1,4,5,8-Naphthalenetetracarboxdiimide
- Molecular formula
- C14H6N2O4
- Molecular weight
- 266.21
Names & synonyms
5690-24-4Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetroneNaphthalene-1,8:4,5-tetracarboxydiimideNSC-96429896Z6Y4WZPNSC 96429DTXSID302054401,4,5,8-naphthalenetetracarboxylic acid diimide1,4,5,8-Naphthalenetetracarboxylic 1,8: 4,5-diimide1,4,5,8-NAPHTHALENETETRACARBOXYLIC 1,8:4,5-DIIMIDEBENZO(LMN)(3,8)PHENANTHROLINE-1,3,6,8(2H,7H)-TETRONERefChem:196805
Show more names
4,5:1,8-Naphthalenebisdicarbimide1,8:4,5-Naphthalenedi(dicarbimide)Naphthalene-1,8:4,5-bis(dicarbimide)1,8:4,5-Naphthalenebis(dicarboximide)1,8:4,5-Naphthalenetetracarboxdiimide1,4,5,8-NAPHTHALENETERTACARBOXDIIMIDE
DTXCID30127931BODUWJSFPLUDMP-UHFFFAOYSA-N1,4,5,8-Naphthalenetetracarboxdiimide1,4,5,8-Naphthalenetetracarbondiimidebenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraoneMFCD00047649NSC964296,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
Database identifiers
- CAS
5690-24-4- PubChem CID
- 79771
- DTXSID
DTXSID30205440- UNII
- 896Z6Y4WZP
- EC Number
- 227-159-0
- Nikkaji
- J225.094B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Melting point
- 410 °C · >410 °C
- Boiling point
- 702.8 · 702.8±56.0 °C(Predicted)
- Density
- 1.666 · 1.666±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 7.98 · 7.98±0.20(Predicted)
- form
- powder to crystal
- color
- Light yellow to Brown
- InChI
- InChI=1S/C14H6N2O4/c17-11-5-1-2-6-10-8(14(20)16-12(6)18)4-3-7(9(5)10)13(19)15-11/h1-4H,(H,15,17,19)(H,16,18,20)
- InChIKey
- BODUWJSFPLUDMP-UHFFFAOYSA-N
- SMILES
- C12=CC=C3C4C1=C(C=CC=4C(=O)NC3=O)C(=O)NC2=O
- FDA UNII
- 896 Z6Y4WZP · 896Z6Y4WZP
- Safety Statements
- 22 · 22-24/25
- HS Code
- 2933.99 · 2933.99.8210
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933.99.8210
- safety_code
- 22-24/25
Chemistry & industry
Suppliers51 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海道鞅科技有限公司QQ:3150471267 13381681725 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海珅振医药化工有限公司13564376153 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
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Compound notes
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