Benzenemethanol, 3,5-dichloro-4-hydroxy-

HCID 176409CAS 22002-17-1
Substructure searchFind similar structures

Basic information

Standard SMILES
OCc1cc(Cl)c(O)c(Cl)c1
InChIKey
SQKUSGDAQJJKBT-UHFFFAOYSA-N
Molecular formula
C7H6Cl2O2
Average molar mass
193.02 g/mol
Monoisotopic mass
191.97448479

Names & identifiers

Preferred name
Benzenemethanol, 3,5-dichloro-4-hydroxy-
IUPAC
2,6-dichloro-4-(hydroxymethyl)phenol
English name
3,5-Dichloro-4-hydroxybenzyl alcohol
Molecular formula
C7H6Cl2O2
Molecular weight
193.03

Names & synonyms

22002-17-1Benzenemethanol, 3,5-dichloro-4-hydroxy-RefChem:3249182,6-dichloro-4-(hydroxymethyl)phenol3,5-dichloro-4-hydroxybenzyl alcoholMFCD062028472,6-Dichloro-4-hydroxymethylphenolph-CH2OHSCHEMBL737479SCHEMBL2642163RARECHEM AL BD 0933SCHEMBL11001155
Show more names
DTXSID90944601SQKUSGDAQJJKBT-UHFFFAOYSA-N3,5-dichloro-p-hydroxybenzyl alcoholAKOS006291939AS-93341SY515271DB-330922CS-0378442

Database identifiers

CAS
22002-17-1
PubChem CID
176409
DTXSID
DTXSID90944601
Nikkaji
J83.128J

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physicochemical properties

Boiling point
296.6 · 296.6±35.0 °C(Predicted)
Density
1.537 · 1.537±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, stored under nitrogen
pka
6.82 · 6.82±0.23(Predicted)
Appearance
White to off-white Solid
HS Code
2908990000 · 2908990000

Safety & regulation

Hazard information

Regulatory InformationCommission Regulation No 844/2012

Safety data

hs_code
2908990000

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Upstream & downstream products

Suppliers16 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]

Related reactions

16 records
New reaction record

Linked notes

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