1,2,3,4-Cyclopentanetetracarboxylic acid

HCID 19622CAS 3724-52-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C1CC(C(=O)O)C(C(=O)O)C1C(=O)O
InChIKey
WOSVXXBNNCUXMT-UHFFFAOYSA-N
Molecular formula
C9H10O8
Average molar mass
246.17 g/mol
Monoisotopic mass
246.03756727

Names & identifiers

Preferred name
1,2,3,4-Cyclopentanetetracarboxylic acid
IUPAC
cyclopentane-1,2,3,4-tetracarboxylic acid
English name
1,2,3,4-Cyclopentanetetracarboxylic acid
Molecular formula
C9H10O8
Molecular weight
246.17

Names & synonyms

Cyclopentane-1,2,3,4-tetracarboxylic acid3724-52-51,2,3,4-Cyclopentanetetracarboxylic acidDTXSID30958404RefChem:1051917DTXCID301386309223-074-81,2,3,4-Cyclopentanetetracarboxylicacid1,2,3,4-TetracarboxycyclopentaneOprea1_132715SCHEMBL22039r-1,c-2,c-3,c-4-Cyclopentanetetracarboxylic acid
Show more names
Cyclopentanetetracarboxylicacid1,2,3,4-Cyclopentanetetetracarboxylic Acid1,2,3,4-Cyclopentanetetracarboxylic Acid >1,2,3,4-CYCLOPENTANETETRACARBOXYLIC ACID 99+%
MFCD00066164NSC 73712AKOS003368776AKOS016844207MFCD00001377C9H10O8EINECS 223-256-7AI3-50868

Database identifiers

CAS
3724-52-5、3786-91-2
PubChem CID
19622
DTXSID
DTXSID30958404
EC Number
223-074-8
Nikkaji
J205.635F

Properties

Computed structural properties

XLogP
-1.5
Topological polar surface area
149 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
17

Physicochemical properties

Melting point
179 ℃ · approximate 179℃ (dec.)
Boiling point
495.6 · 495.6±45.0 °C(Predicted)
Density
1.787 · 1.787±0.06 g/cm3(Predicted)
solubility
almost transparency in Methanol
form
powder to crystal
pka
3.44 · 3.44±0.70(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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%)；Eye Irrit. 2 (100%)

Safety data

rtecs
GY4700500
hs_code
2917.20.0000
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Suppliers30 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西科贝莱药物研发有限公司13119135307 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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