ChemicalBook--->CAS DataBase List--->873-76-7

873-76-7

873-76-7 Structure

873-76-7 Structure
IdentificationMore
[Name]

4-Chlorobenzyl alcohol
[CAS]

873-76-7
[Synonyms]

4-CHLOROBENZYL ALCOHOL
(4-CHLOROPHENYL)METHANOL
LABOTEST-BB LT02085068
P-CHLOROBENZYL ALCOHOL
RARECHEM AL BD 0077
4-chloro-benzenemethano
4-chlorobenzenemethanol
4-chlorobenzyl
ai3-20628
Benzenemethanol, 4-chloro-
Benzyl alcohol, p-chloro-
p-chloro-benzylalcoho
4-chlorobenzylic alcohol
4-Chlorobenzylalcohol,99%
4-Chlorobenzyl alcohol 98%
4-CHLOROMETHYL ALCOHOL
PARA-CHLOROBENZYLALCOHOL
p-Chlorotoluol
1-Hydroxymethyl-4-chlorobenzene
[EINECS(EC#)]

212-852-2
[Molecular Formula]

C7H7ClO
[MDL Number]

MFCD00004652
[Molecular Weight]

142.58
[MOL File]

873-76-7.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

68-71 °C(lit.)
[Boiling point ]

234 °C(lit.)
[density ]

1.1104 (rough estimate)
[refractive index ]

1.5390 (estimate)
[Fp ]

70 °C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

2.5g/l
[form ]

Crystalline Needles or Powder
[pka]

14.16±0.10(Predicted)
[color ]

Almost white to beige
[Stability:]

Stable. Incompatible with acid chlorides, acid anhydrides, acids, oxidizing agents. Combustible.
[Water Solubility ]

Soluble in water (2.5 mg/ml at 20°C), and methanol.
[BRN ]

636502
[Major Application]

pharmaceutical
[InChI]

1S/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
[InChIKey]

PTHGDVCPCZKZKR-UHFFFAOYSA-N
[SMILES]

OCc1ccc(Cl)cc1
[CAS DataBase Reference]

873-76-7(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Chlorobenzyl alcohol(873-76-7)
[EPA Substance Registry System]

873-76-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

DN9242000
[HS Code ]

29062900
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Chlorobenzyl alcohol(873-76-7).msds
Questions And AnswerBack Directory
[Description]

It is usually used as the intermediate in organic synthesis and pharmaceutical industry. Specifically, this chemical can react with o-xylene in the presence of HAuCl4 or AuCl3 at 80 ℃ to generate the corresponding benzylated product.1 Moreover, the acetylation of 4-chlorobenzyl alcohol in presence of catalytic amounts of Ce(OTf)4 has been performed in acetic acid to produce the desired esters in the excellent yields.2 In addition, this chemical may function as the raw material to produce its corresponding carboxylic acids and ketones in good yields through the oxidation reaction by using hydrogen peroxide and cobalt(Ⅱ) complex.3 Besides, the formylation and acetylation of 4-chlorobenzyl alcohol may be carried out in the presence of Silphos [PCl3?n(SiO2)n] in ethyl formate and ethyl acetate.4
[Referrence]

  1. Mertins, K.; Lovel, I.; Kischel, J.; Zapf, A.; Beller, M., Gold-catallyzed benzylation of arenes and heteroarenes. Adv. Synth. Catal. 2006, 348, 691-695.
  2. Iranpoor, N.; Shekarriz, M., Catalytic Esterification of Alcohols, Carboxylic Acids and Transesterification Reactions with Cerium(IV) Triflate. Bull. Chem. Soc. Jpn. 1999, 72, 455-458.
  3. Das, S.; Punniyamurthy, T., Cobalt(II)-catalyzed oxidation of alcohols into carboxylic acids and ketones with hydrogen peroxide. Tetrahedron Lett. 2003, 44, 6033-6035.
  4. Iranpoor, N.; Firouzabadi, H.; Jamalian, A., Silphos PCl3-n(SiO2)(n) : a heterogeneous phosphine reagent for formylation and acetylation of alcohols and amines with ethyl formate and acetate. Tetrahedron Lett. 2005, 46, 7963-7966.
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

Reagent for carboxyl group protection.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 82, p. 681, 1960 DOI: 10.1021/ja01488a045
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chlorobenzyl alcohol(873-76-7)MS
4-Chlorobenzyl alcohol(873-76-7)1HNMR
4-Chlorobenzyl alcohol(873-76-7)13CNMR
4-Chlorobenzyl alcohol(873-76-7)IR1
4-Chlorobenzyl alcohol(873-76-7)IR2
4-Chlorobenzyl alcohol(873-76-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chlorobenzyl alcohol, 99%(873-76-7)
[Alfa Aesar]

4-Chlorobenzyl alcohol, 99%(873-76-7)
[Sigma Aldrich]

873-76-7(sigmaaldrich)
[TCI AMERICA]

4-Chlorobenzyl Alcohol,>99.0%(GC)(873-76-7)
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