Home > Compound List > Compound details
873-76-7 molecular structure
click picture or here to close

(4-chlorophenyl)methanol

ChemBase ID: 89448
Molecular Formular: C7H7ClO
Molecular Mass: 142.58288
Monoisotopic Mass: 142.01854252
SMILES and InChIs

SMILES:
OCc1ccc(cc1)Cl
Canonical SMILES:
OCc1ccc(cc1)Cl
InChI:
InChI=1S/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey:
PTHGDVCPCZKZKR-UHFFFAOYSA-N

Cite this record

CBID:89448 http://www.chembase.cn/molecule-89448.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-chlorophenyl)methanol
IUPAC Traditional name
P-chlorobenzyl alcohol
Synonyms
4-Chloro benzyl alcohol
(4-Chlorophenyl)methanol
4-Chlorobenzyl alcohol 98%
4-Chlorobenzyl alcohol
p-CHLOROBENZYL ALCOHOL
(4-chlorophenyl)methanol
4-氯苄醇
对氯苄醇
CAS Number
873-76-7
EC Number
212-852-2
MDL Number
MFCD00004652
Beilstein Number
636502
PubChem SID
24892520
24854269
162076328
PubChem CID
13397

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.9613495  H Acceptors
H Donor LogD (pH = 5.5) 1.8099407 
LogD (pH = 7.4) 1.8099407  Log P 1.8099407 
Molar Refractivity 37.6787 cm3 Polarizability 14.648327 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
68-71 °C expand Show data source
68-71 °C(lit.) expand Show data source
68-71°C expand Show data source
68-72°C expand Show data source
Boiling Point
234 °C(lit.) expand Show data source
234°C expand Show data source
234°C expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
DN9242000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
ClC6H4CH2OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05226170 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - C27115 external link
Application
Reagent for carboxyl group protection.
Packaging
25, 100 g in poly bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Reagent for the protection of carboxyl groups as their 4-chlorobenzyl esters, more stable to acid than the corresponding benzyl esters: J. Org. Chem., 41, 2579 (1976).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle