Basic information
- CAS
51-78-5- Standard SMILES
Cl.Nc1ccc(O)cc1- InChIKey
RVGOBWDGAVAVPJ-UHFFFAOYSA-N- Molecular formula
- C6H7NO.ClH
- Average molar mass
- 145.59 g/mol
- Monoisotopic mass
- 145.02944156
Names & identifiers
- Preferred name
- 4-Aminophenol hydrochloride
- IUPAC
- 4-aminophenol;hydrochloride
- English name
- 4-Hydroxyaniline hydrochloride
- Molecular formula
- C6H8ClNO
- Molecular weight
- 145.59
Names & synonyms
Show more names
Database identifiers
- CAS
51-78-5- PubChem CID
- 5828
- DTXSID
DTXSID6058760- ChEMBL
CHEMBL388353- UNII
- IWL2N22RFY
- EC Number
- 200-122-6
Properties
Computed structural properties
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 66.9
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 302 °C · 302 °C
- Boiling point
- 306 °C · 306°C (decomp)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- powder
- color
- gray
- Water Solubility
- soluble
- Merck
- 14 · 14,462
- BRN
- 3911747 · 3911747
- Stability
- Stable, but hygroscopic, air and light sensitive. Incompatible with strong oxidizing agents.
- Cosmetics Ingredients Functions
- HAIR DYEING
- InChI
- 1S/C6H7NO.ClH/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;1H
- InChIKey
- RVGOBWDGAVAVPJ-UHFFFAOYSA-N
- SMILES
- Cl[H].Nc1ccc(O)cc1
- CAS DataBase Reference
- 51 · 51-78-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 N22RFY · IWL2N22RFY
- EPA Substance Registry System
- 4 · 4-Aminophenol hydrochloride (51-78-5)
- UNSPSC Code
- 12352107 · 12352107
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H332-H315-H319-H317-H335
- Precautionary statements
- 501 · P501-P261-P272-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P333+P313-P301+P312+P330-P304+P340+P312-P403+P233-P405
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-43
- Safety Statements
- 28 · 28-36
- WGK Germany
- 3 · 3
- RTECS
- 6070000 · SJ6070000
- TSCA
- TSCA listed
- HS Code
- 29222900 · 29222900
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Carc. 2Eye Dam. 1Muta. 2Skin Sens. 1STOT RE 1
- Hazardous Substances Data
- 51 · 51-78-5(Hazardous Substances Data)
- Toxicity
- 50 slt-dmg-orl: · LD50 slt-dmg-orl: 750 mg/kg NTIS** AD691-490
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory Information
Chemical: Phenol, 4-amino-, hydrochloride
Phenol, 4-amino-, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
May cause skin sensitization; Inhalation may cause asthma; May induce methemoglobinemia; [Merck Index] Emergency treatment: Aniline; [HSDB] A mutagen; Causes changes in renal tubules in intraperitoneal studies of rats at doses >50 mg/kg; [RTECS] See 4-Aminophenol.
Hazard Classes and Categories
Skin Irrit. 2 (90.7%)
Acute toxicity (ingestion) - category 4
Safety & protection
Fire Fighting Procedures
If material on fire or involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water in flooding quantities as fog. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources. /Aminophenols/
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Preventive Measures
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. /Aminophenols/
Personnel protection: Avoid breathing dusts, and fumes from burning material. Keep upwind. ... Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. /Aminophenols/
Toxicology
Non-Human Toxicity Excerpts
IV 3 MMOL/KG INHIBITED GLUCONEOGENESIS FROM LACTATE IN RAT RENAL CORTICAL TUBULES & DECR ATP CONTENT. PERFUSED KIDNEYS FROM RATS PREVIOUSLY INJECTED SHOWED 50% REDN OF ATP CONTENT, INHIBITION OF NA+ REABSORPTION, & REDN OF INSULIN CLEARANCE BUT NO INHIBITION OF GLUCONEOGENESIS
IN MITOCHONDRIA FROM KIDNEYS OF RATS TREATMENT WITH P-AMINOPHENOL HYDROCHLORIDE (300 MG/KG, IV), INHIBITED RESP, OXIDATIVE PHOSPHORYLATION, & ATPASE ACTIVITY. SODIUM & CALCIUM LEVELS ALSO INCREASED. MITOCHONDRIA SHOWED ULTRASTRUCTURE DAMAGE.
INDUCERS & INHIBITORS OF MICROSOMAL MIXED-FUNCTION OXIDASE HAD NO CONSISTENT EFFECT UPON NEPHROTOXICITY OF P-AMINOPHENOL HCL OR BINDING OF P-AMINOPHENOL HCL TO CELL PROTEIN. THE NEPHROTOXICITY IS DEPENDENT UPON OXIDN TO TOXIC METAB BY SOME OTHER PATHWAY.
SINGLE IV ADMIN TO RATS WAS NEPHROTOXIC. RENAL LESIONS WERE GENERALLY CONFINED TO THE PROXIMAL CONVOLUTED TUBULES.
For more Non-Human Toxicity Excerpts (Complete) data for 4-AMINOPHENOL HYDROCHLORIDE (6 total), please visit the HSDB record page.
Antidote and Emergency Treatment
9. IF...SPILLED ON CLOTHING, REMOVE IMMEDIATELY & DISCARD. ANY CONTAMINATED AREA OF SKIN SHOULD BE WASHED FOR 10 TO 15 MIN WITH SOAP & RUNNING WATER. ... /ANILINE/
/SRP:/ Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patent can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aniline and related compounds/
/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Administer 1% solution methylene blue if patient is symptomatic with severe hypoxia, cyanosis, and cardiac compromise not responding to oxygen. ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Treat seizures with diazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aniline and related compounds/
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SJ6070000
- hs_code
- 29222900
- Toxicity
- LD50 slt-dmg-orl: 750 mg/kg NTIS** AD691-490
- risk_code
- 36/37/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 28-36
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302+H332-H315-H319-H317-H335
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Carc. 2Eye Dam. 1Muta. 2Skin Sens. 1STOT RE 1
- Precautionary statements
- P501-P261-P272-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P333+P313-P301+P312+P330-P304+P340+P312-P403+P233-P405
- Hazardous Substances Data
- 51-78-5(Hazardous Substances Data)
Chemistry & industry
Pharmacology
Uses & manufacturing
Uses
Used as photographic developer, in manufacture of sulfur and azo dyes, and for dyeing furs and feathers; [Merck Index]
Photographic Processing [Category: Other]
Photographic developer; int in mfr of sulfur and azo dyes; in dyeing furs and feathers /p-Aminophenol/
Applications
Uses4-Aminophenol may be used as a pharmaceutical reference standard for the determination of the analyte in pharmaceutical formulations using surface enhanced Raman scattering method.
General DescriptionPharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards. 4-Aminophenol hydrochloride can be used to study cell biology, bioactive small molecules, chemical synthesis, organic building blocks, oxygen compounds and phenols.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers88 total
Related reactions
Compound notes
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