Basic information
- CAS
527-62-8- Standard SMILES
Nc1cc(Cl)cc(Cl)c1O- InChIKey
WASQBNCGNUTVNI-UHFFFAOYSA-N- Molecular formula
- C6H5Cl2NO
- Average molar mass
- 178.01 g/mol
- Monoisotopic mass
- 176.97481914
Overview
Long needles (from carbon disulfide). Sublimes (at 0.06 mmHg) at 158-176 °F. (NTP, 1992)
Names & identifiers
- Preferred name
- 2-Amino-4,6-dichlorophenol
- IUPAC
- 2-amino-4,6-dichlorophenol
- English name
- 2-Amino-4,6-dichlorophenol
- Molecular formula
- C6H5Cl2NO
- Molecular weight
- 178.02
Names & synonyms
Show more names
Database identifiers
- CAS
527-62-8- PubChem CID
- 10699
- DTXSID
DTXSID00870583- UNII
- ES86DYT9KH
- EC Number
- 208-421-3
- Nikkaji
- J7.742I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 97 °C · 97 °C
- Boiling point
- 286.5 · 286.5±40.0 °C(Predicted)
- Density
- 1.2549 · 1.2549 (rough estimate)
- refractive index
- 1.568 · 1.5680 (estimate)
- RTECS
- 5774000 · SJ5774000
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 7.85 · 7.85±0.23(Predicted)
- form
- Solid
- color
- Yellow to brown
- Merck
- 14 · 14,437
- CAS DataBase Reference
- 527 · 527-62-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 86 DYT9KH · ES86DYT9KH
- EPA Substance Registry System
- 2 · 2-Amino-4,6-dichlorophenol (527-62-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H312-H332-H335
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P304+P340-P305+P351+P338-P405-P501a
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- HS Code
- 2922290090 · 2922290090
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then dampen the solid spill material with toluene, then transfer the dampened material to a suitable container. Use absorbent paper dampened with toluene to pick up any remaining material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash all contaminated surfaces with toluene followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Safety data
- hs_code
- 2922290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Irritant
- hazard_class
- 6.1
- Hazard statements
- H315-H319-H302-H312-H332-H335
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Amino-4,6-dichlorophenol is used in preparation of novel heteroaryl-substituted Aminoalkyl Azole compounds as pesticides.
General DescriptionLong needles (from carbon disulfide). Sublimes (at 0.06 mm Hg) at 158-176°F.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers95 total
Related reactions
Compound notes
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