Basic information
- CAS
3010-82-0- Standard SMILES
NC(=O)c1ccc(C(N)=O)cc1- InChIKey
MHSKRLJMQQNJNC-UHFFFAOYSA-N- Molecular formula
- C8H8N2O2
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.0585775
Names & identifiers
- Preferred name
- Terephthalamide
- IUPAC
- benzene-1,4-dicarboxamide
- English name
- TEREPHTHALAMIDE
- Molecular formula
- C8H8N2O2
- Molecular weight
- 164.16
Names & synonyms
Terephthalamidebenzene-1,4-dicarboxamide1,4-BenzenedicarboxamideTerephthaldiamideYAY9TC6F38NSC 56420BRN 2045548NSC-56420DTXSID2051976CHEBI:388024-09-00-03321 (Beilstein Handbook Reference)Terephthalamide (8CI)
Show more names
EREPHTHALAMIDEBUTTPARK 84\02-46TEREPHTHALAMIC ACIDTerephthalamide >Terephthalic diamide
RefChem:187953DTXCID5030539benzene-1,4-dicarboxamide;terephthalamideMHSKRLJMQQNJNC-UHFFFAOYSA-NTerephthalamidic acid3010-82-0p-Carbamoylbenzamidep-Phthalamide
Database identifiers
- CAS
3010-82-0- PubChem CID
- 76381
- DTXSID
DTXSID2051976- ChEMBL
CHEMBL397293- ChEBI
CHEBI:38802- UNII
- YAY9TC6F38
- Nikkaji
- J208.955F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 250 ℃ · >250℃
- Boiling point
- 291.62 °C · 291.62°C (rough estimate)
- Density
- 1.2739 · 1.2739 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 15.25 · 15.25±0.50(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C8H8N2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
- InChIKey
- MHSKRLJMQQNJNC-UHFFFAOYSA-N
- SMILES
- C1(C(N)=O)=CC=C(C(N)=O)C=C1
- CAS DataBase Reference
- 3010 · 3010-82-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 TC6F38 · YAY9TC6F38
- EPA Substance Registry System
- 1 · 1,4-Benzenedicarboxamide (3010-82-0)
Safety & regulation
Safety data
- tsca
- TSCA listed
- rtecs
- CZ2202000
- hs_code
- 2924.29.7790
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenedicarboxamide: INACTIVE
Suppliers68 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
4 records
Compound notes
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