| CAS Number | 60760-06-7 |
| Catalog Number | AG00EDMJ(AGN-PC-0JKOLH) |
| Chemical Name | 3-CHLOROMETHYL-PHENOL |
| IUPAC Name | 3-(chloromethyl)phenol |
| InChI | InChI=1S/C7H7ClO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5H2 |
| InChI Key | ZFIKJVXBLFGISQ-UHFFFAOYSA-N |
| MDL Number | MFCD06658536 |
| Molecular Formula | C7H7ClO |
| Molecular Weight | 142.5829 |
| SMILES | OC1=CC=CC(CCl)=C1 |
| Synonyms | 3-(chloromethyl)phenol,
60760-06-7,
3-Chloromethyl-phenol,
3-hydroxybenzyl chloride,
Phenol,3-(chloromethyl)-,
3-hydroxy benzyl chloride,
AC1L1U7D,
SCHEMBL3577582,
CTK5B2202,
DTXSID80275370,
ZFIKJVXBLFGISQ-UHFFFAOYSA-N,
ZINC2034015,
9086AB,
AKOS006293629,
AC-20724,
AJ-32968,
CJ-31829,
CID35683,
|
| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.582g/mol |
| Monoisotopic Mass | 142.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H314-H315
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P260-P264-P270-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P332+P313-P362-P405-P501
|
|
UN Code
|
UN 1759
|
Certificate of Analysis
Lot Number