CAS No.2144-08-3,2,3,4-Trihydroxybenzaldehyde Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2144-08-3
Name:	2,3,4-Trihydroxybenzaldehyde
Article Data:	15

Formula:	C₇H₆O₄
Molecular Weight:	154.122
Synonyms:	3,4-Dihydroxysalicylaldehyde;NSC 22595;benzaldehyde, 2,3,4-trihydroxy-;
EINECS:	218-404-2
Density:	1.598 g/cm³
Melting Point:	159-161 °C(lit.)
Boiling Point:	301.9 °C at 760 mmHg
Flash Point:	150.6 °C
Solubility:	1.541g/L at 25℃
Appearance:	light brown to beige-brown powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39-36
PSA:	77.76000
LogP:	0.61590

Synthetic route

: C8H4O5

: 2144-08-3
2,3,4-trihydroxybenzylaldehyde

Conditions

Conditions	Yield
With water Reflux;	94.6%

: 864131-95-3
N,N'-diphenylformamidine

: 87-66-1
2-hydroxyresorcinol

: 2144-08-3
2,3,4-trihydroxybenzylaldehyde

Conditions

Conditions	Yield
at 110℃; und Kochen des Reaktionsprodukts mit Natronlauge;

: 103-70-8
Formanilid

: 87-66-1
2-hydroxyresorcinol

: 2144-08-3
2,3,4-trihydroxybenzylaldehyde

Conditions

Conditions	Yield
With diethyl ether; trichlorophosphate Zerlegen des ausgeschiedenen salzsauren Pyrogallolaldehydanilins durch Erwaeemen mit verd. Natronlauge;

: 74-90-8
hydrogen cyanide

: 87-66-1
2-hydroxyresorcinol

: 2144-08-3
2,3,4-trihydroxybenzylaldehyde

Conditions

Conditions	Yield
With hydrogenchloride; aluminium trichloride; benzene at 40℃; Zersetzung mit Eiswasser;
With hydrogenchloride; diethyl ether; zinc(II) chloride Zersetzung des sich ausscheidenden salzsauren Aldimids mit siedendem Wasser;
With hydrogenchloride

: 92114-96-0
mercury fulminate

: 87-66-1
2-hydroxyresorcinol

: 2144-08-3
2,3,4-trihydroxybenzylaldehyde

Conditions

Conditions	Yield
With hydrogenchloride; diethyl ether; mercury(II) fulminate Zerlegen des dabei erhaltenen Oxims durch Kochen mit verd. Schwefelsaeure;
With hydrogenchloride; diethyl ether; mercury(II) fulminate Zerlegen des dabei erhaltenen Oxims durch Kochen mit verd. Schwefelsaeure;

: 122-51-0
orthoformic acid triethyl ester

: 87-66-1
2-hydroxyresorcinol

: 2144-08-3
2,3,4-trihydroxybenzylaldehyde

: 2,4-dihydroxy-3-O-α-L-rhamnopyranosylbenzaldehyde

A: 6014-42-2
L-rhamnose

B: 2144-08-3
2,3,4-trihydroxybenzylaldehyde

Conditions

Conditions	Yield
With hydrogenchloride; methanol for 4h; Reflux;

: 109103-74-4
2,3,4-Trihydroxy-benzaldehyd-p-tolylimin

A: 2144-08-3
2,3,4-trihydroxybenzylaldehyde

B: 106-49-0
p-toluidine

Conditions

Conditions	Yield
With methanol; sodium tetrahydroborate
Multi-step reaction with 2 steps 1: [bis(acetoxy)iodo]benzene 2: sodium tetrahydroborate; methanol View Scheme

: C14H11NO3

A: 2144-08-3
2,3,4-trihydroxybenzylaldehyde

B: 106-49-0
p-toluidine

Conditions

Conditions	Yield
With methanol; sodium tetrahydroborate

: 102-09-0
bis(phenyl) carbonate

: 2144-08-3
2,3,4-trihydroxybenzylaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: triethylamine / tert-butyl methyl ether / Reflux 2: aluminum (III) chloride / tert-butyl methyl ether / 0 - 5 °C 3: water / Reflux View Scheme

Downstream Products

64-18-6

Total:122 Page 1 of 4 1 2 3 4 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 2,3,4-Trihydroxybenzaldehyde, with the CAS registry number 2144-08-3 and EINECS registry number 218-404-2, it is also known as Pyrogallol-4-carboxaldehyde. It is a kind of light brown to beige-brown powder which is sensitive to air, and belongs to the following product categories: Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde. The molecular formula of this chemical is C₇H₆O₄. What's more, it is used as the intermediate of benserazide.

The physical properties of 2,3,4-Trihydroxybenzaldehyde are as following: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 5.2; (6)ACD/BCF (pH 7.4): 2.15; (7)ACD/KOC (pH 5.5): 112.68; (8)ACD/KOC (pH 7.4): 46.7; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.734; (14)Molar Refractivity: 38.65 cm³; (15)Molar Volume: 96.3 cm³; (16)Polarizability: 15.32×10^-24cm³; (17)Surface Tension: 90.5 dyne/cm; (18)Density: 1.598 g/cm³; (19)Flash Point: 150.6 °C; (20)Enthalpy of Vaporization: 56.37 kJ/mol; (21)Boiling Point: 301.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000573 mmHg at 25°C.

Uses of 2,3,4-Trihydroxybenzaldehyde: It can react with formaldehyde to produce 2,3,4-trihydroxy-5-hydroxymethylbenzaldehyde. This reaction will need reagent 4% NaOH. The reaction time is 3 hours with ambient temperature, and the yield is about 34%.

2,3,4-Trihydroxybenzaldehyde can react with formaldehyde to produce 2,3,4-trihydroxy-5-hydroxymethylbenzaldehyde

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(O)c(O)c(O)cc1
(2)InChI: InChI=1/C7H6O4/c8-3-4-1-2-5(9)7(11)6(4)10/h1-3,9-11H
(3)InChIKey: CRPNQSVBEWWHIJ-UHFFFAOYAE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	2195mg/kg (2195mg/kg)		International Journal of Andrology. Vol. 10, Pg. 741, 1987.