3-Hydroxy-N-phenylaniline

HCID 7546CAS 101-18-8

Basic information

Standard SMILES
Oc1cccc(Nc2ccccc2)c1
InChIKey
NDACNGSDAFKTGE-UHFFFAOYSA-N
Molecular formula
C12H11NO
Average molar mass
185.22 g/mol
Monoisotopic mass
185.08406397

Names & identifiers

Preferred name
3-Hydroxy-N-phenylaniline
IUPAC
3-anilinophenol
English name
3-Hydroxydiphenylamine
Molecular formula
C12H11NO
Molecular weight
185.22

Names & synonyms

3-Hydroxydiphenylamine3-AnilinophenolPhenol, 3-(phenylamino)-m-Anilinophenol3-HYDROXY-N-PHENYLANILINE3-PhenylaminophenolEINECS 202-923-6CCRIS 4658DTXSID1025431E39Q946GO3NSC 56930UNII-E39Q946GO3
Show more names
3-(PHENYLAMINO)PHENOLPhenol, m-anilino-3-(phenylamino)-pheno3-HydroxydipheylamineM-HYDROXYDIPHENYLAMINE
AMINE,DIPHENYL,3-HYDROXYNSC-56930M-(PHENYLAMINO)PHENOLDTXCID605431RefChem:942453-HYDROXYPHENYLAMINE PHENYL689-700-0InChI=1/C12H11NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-9,13-14

Database identifiers

CAS
101-18-8
PubChem CID
7546
DTXSID
DTXSID1025431
ChEMBL
CHEMBL1523215
ChEBI
CHEBI:188941
UNII
E39Q946GO3
EC Number
202-923-6、689-700-0
Nikkaji
J94.838A

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 72.5 °F (NTP, 1992)
Boiling Point644 °F at 760 mmHg (NTP, 1992)
Melting Point178 to 180 °F (NTP, 1992)
Physical Description3-hydroxy-n-phenylaniline is a beige powder. (NTP, 1992)

Physicochemical properties

Melting point
81 · 81-82°C
Boiling point
340 °C · 340°C
Density
1.0936 · 1.0936 (rough estimate)
refractive index
1.53 · 1.5300 (estimate)
Flash point
340 °C · 340°C
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H302 (71.1%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (30.9%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (69.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (30.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (98.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (68.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 152 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: Phenol, 3-(phenylamino)-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.

Status: Active Update: 27-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18911

DOT LabelPoison
Fire HazardsThe flash point of this chemical has not been determined, but it is probably combustible. (NTP, 1992)
Health Hazards · 1 item

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:;Highly toxic, may be fatal if inhaled, ingested or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)

Reactive GroupAmines, Phosphines, and Pyridines;Phenols and Cresols
Reactivity Profile · 1 item

Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide, foam 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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol 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 alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Isolation and Evacuation · 1 item

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

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)

Regulatory information

Regulatory Information · 2 items

Chemical: Phenol, 3-(phenylamino)-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.

Status: Active Update: 27-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18911

Safety data

tsca
TSCA listed
ridadr
2811
hs_code
2922290090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07,GHS06

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 3-(phenylamino)-: ACTIVE

Applications

Uses3-Hydroxydiphenylamine is used as an intermediate in dyes, pharmaceuticals, and rubber additives.

General DescriptionBeige powder.

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Additional notes

DefinitionChEBI: 3-hydroxydiphenylamine is a substituted aniline.

Related reactions

4 records

Linked notes

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