3,4-dichlorophthalic Acid

HCID 3024151
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Basic information

CAS
56962-06-2
Standard SMILES
O=C(O)c1ccc(Cl)c(Cl)c1C(=O)O
InChIKey
YUDBKSANIWMLCU-UHFFFAOYSA-N
Molecular formula
C8H4Cl2O4
Average molar mass
235.02 g/mol
Monoisotopic mass
233.94866397

Names & identifiers

Preferred name
3,4-dichlorophthalic Acid
IUPAC
3,4-dichlorophthalic acid
English name
dichlorophthalic acid
Molecular formula
C8H4Cl2O4
Molecular weight
235.02

Names & synonyms

3,4-dichlorophthalic Acid56962-06-2DTXSID00388572RefChem:270871DTXCID20339546DICHLOROPHTHALIC ACIDMFCD18973988Dichlorphtalsaure3,4-dichlorophthalicAcid3,4-DICHLOROBENZENE-1,2-DICARBOXYLIC ACIDSCHEMBL1472395SCHEMBL29684882
Show more names
1,2-Benzenedicarboxylic acid, 3,4-dichloro-
AC1715AKOS037630785SY232952F822603

Database identifiers

CAS
56962-06-2
PubChem CID
3024151
DTXSID
DTXSID00388572
Nikkaji
J152.994C

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Boiling point
411 · 411.0±45.0 °C(Predicted)
Density
1.698 · 1.698±0.06 g/cm3(Predicted)
pka
1.58 · 1.58±0.25(Predicted)

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers6 total

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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