Basic information
- CAS
88-23-3- Standard SMILES
Nc1cc(Cl)cc(S(=O)(=O)O)c1O- InChIKey
YCTAOQGPWNTYJE-UHFFFAOYSA-N- Molecular formula
- C6H6ClNO4S
- Average molar mass
- 223.63 g/mol
- Monoisotopic mass
- 222.97060635
Overview
6-amino-4-chloro-1-phenol-2-sulfonic acid is an off-white solid. (NTP, 1992)
Names & identifiers
- Preferred name
- 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid
- IUPAC
- 3-amino-5-chloro-2-hydroxybenzenesulfonic acid
- English name
- 2-Amino-4-chlorophenol-6-sulfonic acid
- Molecular formula
- C6H6ClNO4S
- Molecular weight
- 223.63
Names & synonyms
Show more names
Database identifiers
- CAS
88-23-3- PubChem CID
- 6927
- DTXSID
DTXSID0024474- ChEMBL
CHEMBL3184757- UNII
- 83IP35P6EZ
- EC Number
- 201-813-5
- Nikkaji
- J28.729F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
Physicochemical properties
- Density
- 1.79 · 1.790±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- -1.53 · -1.53±0.50(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 88 · 88-23-3(CAS DataBase Reference)
- FDA UNII
- 83 IP35P6EZ · 83IP35P6EZ
- EPA Substance Registry System
- 2 · 2-Hydroxy-5-chlorometanilic acid (88-23-3)
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H315-H319
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 22 · 22-24/25-26-39
- RIDADR
- 2811 · 2811
- TSCA
- TSCA listed
- HS Code
- 2922.29 · 2922.29.8190
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 3.6% (4 of 111) of reports.
Warning
H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 111 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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol 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
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 2922.29.8190
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- hazard_code
- C
- safety_code
- 22-24/25-26-39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301+H311+H331-H315-H319
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
Applications
UsesThe acid is an important intermediate for dyes. It is used mainly in the manufacture of Diamond Black P 2 B and of acid chrome blue dyes.
General DescriptionOff-white solid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers80 total
Related reactions
Compound notes
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