Basic information
- CAS
3128-15-2- Standard SMILES
O=C(O)C1=C(C(=O)O)CCC1- InChIKey
JDHOCWRIAQDGEY-UHFFFAOYSA-N- Molecular formula
- C7H8O4
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.04225873
Names & identifiers
- Preferred name
- Cyclopent-1-ene-1,2-dicarboxylic acid
- IUPAC
- cyclopentene-1,2-dicarboxylic acid
- English name
- cyclopentene-1,2-dicarboxylic acid
- Molecular formula
- C7H8O4
- Molecular weight
- 156.14
Names & synonyms
Cyclopent-1-ene-1,2-dicarboxylic acid3128-15-2DTXSID40315064RefChem:580909DTXCID80266187869-282-8Cyclopentene-1,2-dicarboxylic acid1-Cyclopentene-1,2-dicarboxylic acid1,2-Dicarboxy-1-cyclopenteneMFCD00155189NSC-291647NSC291647
Show more names
NSC 291647
Cyclopent-1-ene-1,2-dicarboxylicacid6HN8GNQ7SASCHEMBL2522631,2-DICARBOXYCYCLOPENTENEAKOS015993251AC-26803SY009556CS-0309013
Database identifiers
- CAS
3128-15-2- PubChem CID
- 324857
- DTXSID
DTXSID40315064- UNII
- 6HN8GNQ7SA
- EC Number
- 869-282-8
- Nikkaji
- J80.644G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 177 · 177-178℃
- Boiling point
- 342 ℃ · 342℃
- Density
- 1.523 · 1.523
- Flash point
- 175 ℃ · 175℃
- storage temp.
- Store at room temperature
- pka
- 3.94 · 3.94±0.20(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 6 HN8GNQ7SA · 6HN8GNQ7SA
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers12 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海丰臣化工有限公司+86 (21) 13764690794 657056093 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
2 records
Compound notes
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