3-Chloro-4,5-dihydroxybenzoic acid

HCID 54358
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Basic information

CAS
79188-95-7
Standard SMILES
O=C(O)c1cc(O)c(O)c(Cl)c1
InChIKey
GGUNECQLDCNDDY-UHFFFAOYSA-N
Molecular formula
C7H5ClO4
Average molar mass
188.56 g/mol
Monoisotopic mass
187.98763632

Names & identifiers

Preferred name
3-Chloro-4,5-dihydroxybenzoic acid
IUPAC
3-chloro-4,5-dihydroxybenzoic acid
English name
Nsc21187
Molecular formula
C7H5ClO4
Molecular weight
188.57

Names & synonyms

3-Chloro-4,5-dihydroxybenzoic acid87932-49-8MFCD01742816Benzoic acid, 3-chloro-4,5-dihydroxy-79188-95-7NSC21187NSC 21187NSC-21187SCHEMBL14582063-Chloro-4,5-dihydroxybenzoicacidDS-7518CS-0068147
Show more names
W171543-chloro-4,5-dihydroxy-benzoic acid6RB8ETB9JQDTXSID4010003SCHEMBL30689081DTXSID401000328AKOS006275956SY116411

Database identifiers

CAS
79188-95-7、87932-49-8
PubChem CID
54358
DTXSID
DTXSID401000328
UNII
6RB8ETB9JQ

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
77.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Boiling point
391.7 · 391.7±42.0 °C(Predicted)
Density
1.702 · 1.702±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
4.08 · 4.08±0.10(Predicted)
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers26 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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