| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 95-88-5 |
| ECHA EC Number: | 202-462-0 |
| FDA UNII: | 87045U29QJ |
| Category: | hair dyeing agents |
| IUPAC Name: | 4-chlororesorcinol |
| InChI : | InChI=1/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H |
| Std.InChI: | InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H |
| InChIKey : | JQVAPEJNIZULEK-UHFFFAOYAA |
| Std.InChIKey: | JQVAPEJNIZULEK-UHFFFAOYSA-N |
| SMILES : | C1=CC(=C(C=C1O)O)Cl |
| MDL: | MFCD00002273 |
| Molar Refractivity : | 34.91 ± 0.3 cm3 (est) |
| Parachor : | 273.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.629 ± 0.02 (est) |
| Surface Tension : | 59.7 ± 3.0 dyne/cm (est) |
| Density : | 1.471 ± 0.06 g/cm3 (est) |
| Polarizability : | 13.83 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 107.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 259.00 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 251.00 °F. TCC ( 121.60 °C. ) (est) |
| logP (o/w): | 1.800 |
| Soluble in: | |
| water, 8840 mg/L @ 25 °C (est) | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | hair dyeing agents |
| BOC Sciences |
| For experimental / research use only. |
| 4-Chlororesorcinol >98% |
| EMD Millipore |
| For experimental / research use only. |
| 4-Chlororesorcinol |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 4-Chlororesorcinol ≥99% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 4-Chlororesorcinol 98% |
| TCI AMERICA |
| For experimental / research use only. |
| 4-Chlororesorcinol >95.0%(GC) |
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| intraperitoneal-mouse LD50 195 mg/kg BEHAVIORAL: TREMORBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: ATAXIA Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 185, 1957. oral-rat LD50 369 mg/kg BEHAVIORAL: ATAXIABEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)SKIN AND APPENDAGES (SKIN): HAIR: OTHER Food and Cosmetics Toxicology. Vol. 15, Pg. 607, 1977. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| hair dyeing agents | |||
| Recommendation for 4-chlororesorcinol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 4-chlororesorcinol flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA GENetic TOXicology:Search |
| EPA Substance Registry Services (TSCA):95-88-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :1731 |
| National Institute of Allergy and Infectious Diseases:Data |
| SCCNFP:opinion |
| WGK Germany:3 |
| 4-chlorobenzene-1,3-diol |
| Chemidplus:0000095885 |
| RTECS:VH0450000 for cas# 95-88-5 |
| 4-chlorobenzene-1,3-diol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 95-88-5 |
| Pubchem (cid): | 1731 |
| Pubchem (sid): | 134972200 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2907.29.9000 |
| ChemSpider: | View |
| None Found |
| hair dyeing agents |
| not found in nature |
| 1,3- | benzenediol, 4-chloro- |
| 4- | chloro resorcinol |
| 4- | chloro-1,3-benzenediol |
| 4- | chloro-1,3-dihydroxybenzene |
| 1- | chloro-2,4-dihydroxybenzene |
| 4- | chlorobenzene-1,3-diol |
| 1,3- | dihydroxy-4-chlorobenzene |
| 2,4- | dihydroxychlorobenzene |
| parmetol | |
| raschit K | |
| resorcinol, 4-chloro- |
