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
Show more names
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
- Formal charge
- 0
- Complexity
- 99.1
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (4-Chloro-2-Aminophenol) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
LogP
1.24
1.81
Solubility
less than 1 mg/mL at 68 °F (NTP, 1992)
Solubility in water, g/l at 26 °C: 3 (slightly soluble)
Melting Point
284 to 286 °F (decomposes) (NTP, 1992)
140 °C
Vapor Pressure
0.00141 [mmHg]
Vapor pressure, Pa at 25 °C: 0.2
Physical Description
2-Amino-4-chlorophenol is a light brown colored crystalline solid. It may be toxic by ingestion. It is insoluble in water. It is used to make other chemicals.
Brown solid; [ICSC] Brown powder; [Alfa Aesar MSDS]
BROWN CRYSTALLINE POWDER WITH CHARACTERISTIC ODOUR.
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
- Colour Index
- 76525 · 76525
- pka
- 9.31 · 9.31±0.18(Predicted)
- form
- Solid
- color
- Pale Orange to Light Brown
- Water Solubility
- 0.1 g/100 · Insoluble. <0.1 g/100 mL at 20 ºC
- BRN
- 774859 · 774859
- Stability
- Stable. Incompatible with strong oxidizing agents.
- Cosmetics Ingredients Functions
- HAIR DYEING
- Cosmetic Ingredient Review (CIR)
- 2 · 2-Amino-4-chlorophenol (95-85-2)
- InChI
- 1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
- InChIKey
- SWFNPENEBHAHEB-UHFFFAOYSA-N
- SMILES
- Nc1cc(Cl)ccc1O
- CAS DataBase Reference
- 95 · 95-85-2(CAS DataBase Reference)
- EWG's Food Scores
- 3 · 3-6
- FDA UNII
- 2 Z43LEA3DX · 2Z43LEA3DX
- Proposition 65 List
- 2 · 2-Amino-4-Chlorophenol
- NIST Chemistry Reference
- 5 · 5-Chloro-2-hydroxyaniline(95-85-2)
- IARC
- 2 B · 2B (Vol. 123) 2020
- EPA Substance Registry System
- 2 · 2-Amino-4-chlorophenol (95-85-2)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H373-H341
- Precautionary statements
- 501 · P501-P260-P270-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P405
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38-20/21/22
- Safety Statements
- 26 · 26-36-36/37/39
- RIDADR
- 2673 · UN 2673
- WGK Germany
- 3 · 3
- RTECS
- 5700000 · SJ5700000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 29222900 · 29222900
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 4 OralCarc · Acute Tox. 4 OralCarc. 2
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
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
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.)
Fire Hazards
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
Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.
Safety & protection
Fire Fighting
Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Use water spray, foam, powder, carbon dioxide.
First Aid Measures
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
· 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
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:
Spillage Disposal
Personal protection: particulate filter respirator adapted to the airborne concentration of the substance, protective clothing and protective gloves. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.
Isolation and Evacuation
Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Immediate precautionary measure
Toxicology
Toxicity Summary
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
See Effects of short-term exposure.
Redness.
Redness.
Carcinogen Classification
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
- risk_code
- 22-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 26-36-36/37/39
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H302-H315-H319-H373-H341
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2
- Precautionary statements
- P501-P260-P270-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P405
Chemistry & industry
Uses & manufacturing
Uses
CIR ingredient: 4-Chloro-2-Aminophenol
Used as an intermediate; [NTP]
Applications
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.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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