2-Amino-4-chlorophenol

HCID 7265CAS 95-85-2

Basic information

Standard SMILES
Nc1cc(Cl)ccc1O
InChIKey
SWFNPENEBHAHEB-UHFFFAOYSA-N
Molecular formula
C6H6ClNO
Average molar mass
143.57 g/mol
Monoisotopic mass
143.01379149

Overview

2-Amino-4-Chlorophenol can cause cancer according to California Labor Code.

Names & identifiers

Preferred name
2-Amino-4-chlorophenol
IUPAC
2-amino-4-chlorophenol
English name
2-Amino-4-chlorophenol
Molecular formula
C6H6ClNO
Molecular weight
143.57

Names & synonyms

2-Amino-4-chlorophenol95-85-25-CHLORO-2-HYDROXYANILINE4-Chloro-2-aminophenolPhenol, 2-amino-4-chloro-Fouramine PY2-Hydroxy-5-chloroanilinep-Chloro-o-aminophenolC.I. Oxidation Base 18C.I. 76525DTXSID50244732Z43LEA3DX
Show more names
Chlorzoxazone Related CoMpound Ac.i.76525fouraminepy2-AMino-4-chloc.i.oxidationbase18TIMTEC-BB SBB007588
RODOL PYNSC-247814O-AMINO-P-CHLOROPHENOLDTXCID504473aminochlorophenolRefChem:85194202-458-92-amino-4-chloro-phenol

Database identifiers

CAS
95-85-2
PubChem CID
7265
DTXSID
DTXSID5024473
ChEMBL
CHEMBL251389
UNII
2Z43LEA3DX
EC Number
202-458-9
Nikkaji
J31.070K

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
46.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amino Phenols
Cosmetics · 2 items

Cosmetic ingredients (4-Chloro-2-Aminophenol) -> CIR (Cosmetic Ingredient Review)

Hair dyeing

LogP · 2 items

1.24

1.81

Solubility · 2 items

less than 1 mg/mL at 68 °F (NTP, 1992)

Solubility in water, g/l at 26 °C: 3 (slightly soluble)

Flash Point170 °C
Decomposition170 °C

Physicochemical properties

Melting point
136 · 136-141 °C(lit.)
Boiling point
185.5 °C · 185.5°C (rough estimate)
Density
1.2028 · 1.2028 (rough estimate)
refractive index
1.5618 · 1.5618 (estimate)
storage temp.
2 · 2-8°C
solubility
2.3 g/l · 2.3g/l

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 15.5% (15 of 97) of reports.

Warning

H302 (84.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 97 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Hazard information

Regulatory Information · 5 items

Chemical: Phenol, 2-amino-4-chloro-

Hazard Traits - Carcinogenicity

Status: Active Update: 23-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10289

4-Chloro-2-aminophenol: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Phenol, 2-amino-4-chloro-: Environment tier I assessment
DOT LabelPoison
Fire Hazards · 3 items

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Health Hazards · 2 items

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.

Hazards SummaryCauses contact dermatitis. [ChemIDplus] May cause skin sensitization; [ICSC] A skin, eye, and mucous membrane irritant; [NTP] A skin and strong eye irritant; May induce methemoglobinemia; Toxic by ingestion; [Alfa Aesar MSDS]

Safety & protection

Fire Fighting · 2 items

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

Use water spray, foam, powder, carbon dioxide.

First Aid Measures · 4 items

Fresh air, rest. Seek medical attention if you feel unwell.

Wear protective gloves when administering first aid. Remove contaminated clothes. Rinse and then wash skin with water and soap.

Rinse with plenty of water for several minutes (remove contact lenses if easily possible).

Rinse mouth. Refer for medical attention .

Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.

First Aid · 2 items

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.

General First Aid:

Safe StorageSeparated from oxidants and food and feedstuffs.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Toxicology

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.
Toxicity Summary · 2 items

The CIR Expert Panel concludes that the available data support the safety of 6-Amino-m-Cresol, 4-Amino-m-Cresol, 5-Amino-4-Chloro-o-Cresol and 5-Amino-6-Chloro-o-Cresol as used in oxidative and nonoxidative (semipermanent) for dyes. The available data also support the safety of 6-Amino-o-Cresol and 4-Chloro-2-Aminophenol for use in oxidative hair dyes, but are insufficient to support the safety of 6-Amino-o-Cresol and 4-Chloro-2-Aminophenol and nonoxidative (semipermanent) hair dyes.

Safe for use in cosmetics, with qualifications

Signs and Symptoms · 3 items

See Effects of short-term exposure.

Redness.

Redness.

ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.
Carcinogen Classification · 5 items

2-Amino-4-chlorophenol

Group 2B: Possibly carcinogenic to humans

Volume 123: (2020) Some Nitrobenzenes and Other Industrial Chemicals

2020 online

2018

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
SJ5700000
ridadr
UN 2673
hs_code
29222900

Chemistry & industry

Uses & manufacturing

Uses · 2 items

CIR ingredient: 4-Chloro-2-Aminophenol

Used as an intermediate; [NTP]

Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationPhenol, 2-amino-4-chloro-: ACTIVE
Applications · 3 items

UsesIntermediate.

Uses2-Amino-4-chlorophenol is a widely used reagent in the synthesis of various drugs, dyes and pesticides. A reagent in the synthesis of aggrecanase-2 inhibitors based on acylthiosemicarbazide zinc-binding, used in the treatment of osteoarthritis.

General Description5-Chloro-2-hydroxyaniline is a light brown colored crystalline solid. 5-Chloro-2-hydroxyaniline may be toxic by ingestion. 5-Chloro-2-hydroxyaniline is insoluble in water. 5-Chloro-2-hydroxyaniline is used to make other chemicals.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

103 records

Linked notes

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