Basic information
- CAS
13170-48-4- Standard SMILES
O=C([O-])c1ccc(C(=O)[O-])cc1.[Ca+2]- InChIKey
AAEHPKIXIIACPQ-UHFFFAOYSA-L- Molecular formula
- C8H4CaO4
- Average molar mass
- 204.19 g/mol
- Monoisotopic mass
- 203.97354959
Names & identifiers
- Preferred name
- Calcium terephthalate
- IUPAC
- calcium terephthalate
- English name
- 1,4-Benzenedicarboxylic acid, calcium salt (1:1)
- Molecular formula
- C8H4CaO4
- Molecular weight
- 204.19296
Names & synonyms
Calcium terephthalate16130-76-01,4-Benzenedicarboxylic acid, calcium salt4N2LWP8E0LEINECS 240-291-313170-48-41,4-Benzenedicarboxylic acid, calcium salt (1:1)DTXSID101340682RefChem:573580DTXCID7035191240-291-3Calcium terephthalate(x:1)
Show more names
calcium;terephthalateUNII-4N2LWP8E0LSCHEMBL320062MFCD00085234NS000872551,4-Benzenedicarboxylic acid, calcium salt (1:x)F5755741,4-Benzenedicarboxylic acid, calcium salt (1:?)
Database identifiers
- CAS
13170-48-4、16130-76-0- PubChem CID
- 167516
- DTXSID
DTXSID101340682- UNII
- 4N2LWP8E0L
- EC Number
- 240-291-3
- Nikkaji
- J159.832E
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,4-Benzenedicarboxylic acid, calcium salt (1:1) (13170-48-4)
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenedicarboxylic acid, calcium salt (1:1): INACTIVE
Suppliers17 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
廊坊昭秦能源科技有限公司15703169033 15703169033 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
山东碳氢生物化工有限公司15508610597 15508610597 · [email protected]
Related reactions
3 records
Compound notes
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