ChemicalBook--->CAS DataBase List--->3006-96-0

3006-96-0

3006-96-0 Structure

3006-96-0 Structure
IdentificationMore
[Name]

4-(Hydroxymethyl)benzoic acid
[CAS]

3006-96-0
[Synonyms]

4-CARBOXYBENZYL ALCOHOL
4-HYDROXYMETHYLBENZOIC ACID
HMBA
HMBA LINKER
RARECHEM AL BO 1443
HMBA LINKER,4-HYDROXYTHYLBENZOIC ACID
Hydroxymethylbenzoicacid
4-Hydroxythylbenzoic acid
hb linker
Benzoic acid, 4-(hydroxymethyl)-
4-(HYDROXYMETHYL)BENZOIC ACID HMBA LINKER 98%
4-(HYDROXYMETHYL)BENZOIC ACID (HMBA LINKER)
4-(Hydroxymethyl)benzoic acid, 98+%
[EINECS(EC#)]

628-233-9
[Molecular Formula]

C8H8O3
[MDL Number]

MFCD00017598
[Molecular Weight]

152.15
[MOL File]

3006-96-0.mol
Chemical PropertiesBack Directory
[Melting point ]

182-185 °C (lit.)
[Boiling point ]

140-150 °C(Press: 9 Torr)
[density ]

1.314±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO, Methanol
[form ]

Coarse Fibers
[pka]

4.16±0.10(Predicted)
[color ]

White
[BRN ]

2690023
[InChI]

InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)
[InChIKey]

WWYFPDXEIFBNKE-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(CO)C=C1
[LogP]

0.930
[CAS DataBase Reference]

3006-96-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P305+P351+P338-P280g-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29181990
Hazard InformationBack Directory
[Chemical Properties]

Off-white solid
[Uses]

4-(Hydroxymethyl)benzoic Acid is an intermediate in the synthesis of Eprosartan (E590100), a prototype of the imidazoleacrylic acid angiotensin II receptor antagonists used as an antihypertensive age nt.
[Uses]

This linkage reagent for SPPS is essentially acid stable. It is useful in combination with Fmoc-amino acids. Its peptide esters are usually cleaved by basic or nucleophilic reagents, especially by ammonia in the preparation of peptide amides.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 107, p. 1365, 1985 DOI: 10.1021/ja00291a042
[reaction suitability]

reagent type: linker
Spectrum DetailBack Directory
[Spectrum Detail]

4-(Hydroxymethyl)benzoic acid(3006-96-0)1HNMR
4-(Hydroxymethyl)benzoic acid(3006-96-0)IR1
4-(Hydroxymethyl)benzoic acid(3006-96-0)IR2
4-(Hydroxymethyl)benzoic acid(3006-96-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-(Hydroxymethyl)benzoic acid, 98+%(3006-96-0)
[Sigma Aldrich]

3006-96-0(sigmaaldrich)
[TCI AMERICA]

4-Hydroxymethylbenzoic Acid,>98.0%(T)(3006-96-0)
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