ChemicalBook CAS DataBase List 95-01-2

95-01-2

Name	2,4-Dihydroxybenzaldehyde
CAS	95-01-2
EINECS(EC#)	202-383-1
Molecular Formula	C7H6O3
MDL Number	MFCD00011686
Molecular Weight	138.12
MOL File	95-01-2.mol

Synonyms

2,4-DIHYDROXYBENZALDEHYDE AKOS 227-33 AKOS BBS-00003187 BETA-RESORCYLADLEHYDE BETA-RESORCYLALDEHYDE BETA-RESORCYLIC ALDEHYDE B-RESORCYLALDEHYDE B-RESORCYLIC ALDEHYDE LABOTEST-BB LT00068539 2,4-Dihydroxybenzaldehyd 2,4-dihydroxy-benzaldehyd 2,4-Dihydroxybenzenecarbonal 4-Formylresorcinol 4-Hydroxysalicyladehyde 4-Hydroxysalicylaldehyde beta-Resorcaldehyde beta-Resorcinaldehyde beta-rosorcaldehyde Salicylaldehyde, 4-hydroxy- á-resorcylaldehyde

Chemical Properties

Appearance	cream to light brown solid
Melting point	135-137 °C (lit.)
Boiling point	220-228 °C/22 mmHg (lit.)
density	1.2667 (rough estimate)
refractive index	1.4600 (estimate)
Fp	220°C/22mm
storage temp.	Store below +30°C.
solubility	DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form	Crystalline Powder
pka	7.56±0.18(Predicted)
color	White to beige
Stability:	Stable. May be air sensitive. Combustible. Incompatible with strong oxidizing agents.
Water Solubility	soluble
Sensitive	Air Sensitive
Merck	14,8156
BRN	878548
InChI	1S/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H
InChIKey	IUNJCFABHJZSKB-UHFFFAOYSA-N
SMILES	[H]C(=O)c1ccc(O)cc1O
LogP	1.229 (est)
CAS DataBase Reference	95-01-2(CAS DataBase Reference)
NIST Chemistry Reference	Benzaldehyde, 2,4-dihydroxy-(95-01-2)
EPA Substance Registry System	95-01-2(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H315-H319-H335
Precautionary statements	P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Hazard Codes	Xn,Xi
Risk Statements	R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . S37/39:Wear suitable gloves and eye/face protection . less more
WGK Germany	3
RTECS	VH3600000
Hazard Note	Irritant
TSCA	Yes
HS Code	29124900
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Raw materials And Preparation Products

Hazard Information

Chemical Properties

2,4-Dihydroxybenzaldehyde is cream to light brown solid

Description

2,4-Dihydroxybenzaldehyde is a resorcinol (R144700) derivative with potent antioxidative and antibacterial activity.

Reactions

2,4-Dihydroxybenzaldehyde was used in two-step synthesis of ethyl 3,5-dibromo-2,4-dihydroxycinnamate.

Uses

2,4-Dihydroxybenzaldehyde is a resorcinol (R144700) derivative with potent antioxidative and antibacterial activity.

Uses

2,4-Dihydroxybenzaldehyde is usually used in two-step synthesis of ethyl 3,5-dibromo-2,4-dihydroxycinnamate.

Definition

ChEBI: 2,4-dihydroxybenzaldehyde is a dihydroxybenzaldehyde that is resorcinol which has been substituted by a formyl group para to one of the hydroxy groups.

General Description

2,4-Dihydroxybenzaldehyde undergoes regioselective mono-benzylation reaction under extremely mild basic conditions. It undergoes condensation reaction with isonicotinic acid hydrazide in methanol to yield 2,4-dihydroxybenzaldehyde isonicotinoyl hydrazone, a new fluorescent reagent.

Synthesis

1,3-Dihydroxybenzene and cyclodextrin are dissolved in an aqueous solution of NaOH or KOH, and chloroform is added thereto and reacted at 50-80 deg.C to give the aimed compound 2,4-Dihydroxybenzaldehyde.

IC 50

Human Endogenous Metabolite

Material Safety Data Sheet(MSDS)

Spectrum Detail

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