CAS 2314-36-5 3,5-Dichloro-4-hydroxybenzaldehyde (HCID 16839)

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Basic information

CAS: 2314-36-5
Standard SMILES: O=Cc1cc(Cl)c(O)c(Cl)c1
InChIKey: LIYGCLJYTHRBQV-UHFFFAOYSA-N
Molecular formula: C7H4Cl2O2
Average molar mass: 191.01 g/mol
Monoisotopic mass: 189.9588348

Names & identifiers

Preferred name: 3,5-Dichloro-4-hydroxybenzaldehyde
IUPAC: 3,5-dichloro-4-hydroxybenzaldehyde
English name: 3,5-DICHLORO-4-HYDROXYBENZALDEHYDE
Molecular formula: C7H4Cl2O2
Molecular weight: 191.01

Names & synonyms

3,5-DICHLORO-4-HYDROXYBENZALDEHYDEDTXSID20177708NSC 31590RefChem:91472DTXCID40100199823-616-9LIYGCLJYTHRBQV-UHFFFAOYSA-N2314-36-5Benzaldehyde, 3,5-dichloro-4-hydroxy-MFCD000176053,5-Dichloro-4-hydroxy-benzaldehydeBenzaldehyde, 3,?5-?dichloro-?4-?hydroxy-

Show more names

AKOS B029235Nipaguard DCHB 302,6-Dichloro-4-formylphenol5-DICHLORO-4-HYDROXYBENZALDEHYDE3,5-Dichloro-4-hydroxybenzaldehyd

Benzaldehyde,3,5-dichloro-4-hydroxy-NSC31590SCHEMBL574999SCHEMBL5148307Benzaldehyde,5-dichloro-4-hydroxy-MSK159700NSC-31590SBB013572

Database identifiers

CAS: 2314-36-5
PubChem CID: 16839
DTXSID: DTXSID20177708
EC Number: 823-616-9
Nikkaji: J80.452E

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 139

Experimental & physicochemical properties

Kovats Retention Index1457；1463；1467；1465；1465；1476；1479；1465

Physicochemical properties

Melting point: 154 °C · 154 °C
Boiling point: 256.7 · 256.7±35.0 °C(Predicted)
Density: 1.547 · 1.547±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
pka: 4.85 · 4.85±0.23(Predicted)
color: White
InChI: 1S/C7H4Cl2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey: LIYGCLJYTHRBQV-UHFFFAOYSA-N
SMILES: Oc1c(Cl)cc(C=O)cc1Cl
CAS DataBase Reference: 2314 · 2314-36-5
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationChemical: Benzaldehyde, 3,5-dichloro-4-hydroxy-

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory InformationChemical: Benzaldehyde, 3,5-dichloro-4-hydroxy-

Safety data

wgk: WGK 3
hs_code: 2913000090
risk_code: 36
Signal word

Chemistry & industry

Applications

Uses3,5-Dichloro-4-hydroxybenzaldehyde (cas# 2314-36-5) is a useful research chemical. It is used in fluorescent dye, preparation method therefor and use thereof.