3-Amino-5-chloro-2-hydroxybenzenesulfonic acid

HCID 6927

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

3-Amino-5-chloro-2-hydroxybenzenesulfonic acid88-23-32-Amino-4-chlorophenol-6-sulfonic Acid6-Amino-4-chloro-1-phenol-2-sulfonic acid4-Chloro-2-aminophenol-6-sulfonic acidBenzenesulfonic acid, 3-amino-5-chloro-2-hydroxy-CCRIS 4580DTXSID00244742-Hydroxy-5-chlorometanilic acidNSC 7539EINECS 201-813-583IP35P6EZ
Show more names
4-Chloro-2-amino-6-sulfonicacid5-Chloro-2-hydroxymetanilic acid2-Amino-4-chlorphenol-6-sulfonsureMetanilic acid, 5-chloro-2-hydroxy-2-Amino-4-chlorophenol-6-sulfonicAci2-Amino-4-chlorophenyl-6-sulfonic acid6-Amino-4-chlorophenol-2-sulfonic acid
NSC-7539UNII-83IP35P6EZDTXCID904474EC 201-813-51-PHENOL-2-SULFONIC ACID, 6-AMINO-4-CHLORO-AMINO-4-CHLORO-1-PHENOL-2-SULFONIC ACID, 6-RefChem:92925201-813-5

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

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Physical Description6-amino-4-chloro-1-phenol-2-sulfonic acid is an off-white solid. (NTP, 1992)

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)

Safety & regulation

GHS classification

GHS Classification · 5 items

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

Regulatory InformationStatus: Active Update: 24-09-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10562
Fire HazardsFlash point data are not available for this compound, but it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
Reactive GroupPhenols and Cresols
Reactivity Profile6-AMINO-4-CHLORO-1-PHENOL-2-SULFONIC ACID may react with strong oxidizing or reducing agents and with mineral acids and bases (NTP, 1992)
Air and Water ReactionsMay be sensitive to prolonged exposure to air and/or light. Insoluble in water.

Safety & protection

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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 · 1 item

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) · 1 item

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

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonic acid, 3-amino-5-chloro-2-hydroxy-: ACTIVE

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.

Suppliers80 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

17 records

Compound notes

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