Basic information
- CAS
122-37-2- Standard SMILES
Oc1ccc(Nc2ccccc2)cc1- InChIKey
JTTMYKSFKOOQLP-UHFFFAOYSA-N- Molecular formula
- C12H11NO
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.08406397
Overview
4-Hydroxydiphenylamine is primary aromatic intermediate in the degradation of 6PPD.
Names & identifiers
- Preferred name
- 4-Hydroxydiphenylamine
- IUPAC
- 4-anilinophenol
- English name
- 4-Hydroxydiphenylamine
- Molecular formula
- C12H11NO
- Molecular weight
- 185.22
Names & synonyms
4-Hydroxydiphenylamine4-(phenylamino)phenol4-Anilinophenolp-AnilinophenolPhenol, 4-(phenylamino)-p-Hydroxydiphenylaminep-Oxydiphenylamine4-PhenylaminophenolN-Phenyl-p-aminophenolPhenyl-p-aminophenolp-HydroxydifenylaminVTI 1
Show more names
4-Oxydiphenylaminevti1VTI2VTI1LVTI1L1v-SNAREvti1-rp1VTI1-LIKE
Phenol, p-anilino-Diphenylamine, 4-hydroxy-p-(Phenylamino)phenolpara-HydroxydifenylaminN-(4-hydroxyphenyl)anilinep-Hydroxydifenylamin [Czech]NSC 1543para-Hydroxydifenylamin [Czech]
Database identifiers
- CAS
122-37-2- PubChem CID
- 31208
- DTXSID
DTXSID5037739- ChEMBL
CHEMBL1885160- ChEBI
CHEBI:233240- UNII
- AYK489T98N
- EC Number
- 204-538-9
- Nikkaji
- J5.354F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
PesticidesPesticide (4-Hydroxydiphenylamine) -> USDA PDB
LogP2.82
Melting Point73 °C
Physical DescriptionSolid
Collision Cross Section140.4 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5037739]
Physicochemical properties
- Melting point
- 67 · 67-73°C
- Boiling point
- 190 °C · 190°C
- Density
- 1.0936 · 1.0936 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- Flash point
- 209 °C · 209°C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 10 mg/mlPBS · Ethanol: Soluble: =10 mg/mlPBS (pH 7.2): Soluble: =10 mg/ml
- form
- powder to lump
- pka
- 10.46 · 10.46±0.13(Predicted)
- color
- Gray, solid leaflets
- BRN
- 511942 · 511942
- InChI
- InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H
- InChIKey
- JTTMYKSFKOOQLP-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(NC2=CC=CC=C2)C=C1
- CAS DataBase Reference
- 122 · 122-37-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 489 T98N · AYK489T98N
- NIST Chemistry Reference
- 4 · Phenol, 4-(phenylamino)-(122-37-2)
- EPA Substance Registry System
- 4 · Phenol, 4-(phenylamino)- (122-37-2)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Warning
- Hazard statements
- 303 · H303-H318-H315-H319
- Precautionary statements
- 280 i-P305+P351+P338-P310a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 · P280i-P305+P351+P338-P310a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xn
- Risk Statements
- 37 · 37/38-41-22-21
- Safety Statements
- 26 · 26-36/37/39-36/39
- RIDADR
- 2811 · UN2811
- RTECS
- 6950000 · SJ6950000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29222990 · 29222990
- Toxicity
- 50 oral · LD50 oral in rat: 3300mg/kg
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 11.4% (13 of 114) of reports.
Danger
H312 (36%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, 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 114 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 4-(phenylamino)-
Status: Active Update: 18-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22038
Hazard Classes and CategoriesAcute Tox. 4 (36%)
Safety data
- tsca
- TSCA listed
- rtecs
- SJ6950000
- ridadr
- UN2811
- hs_code
- 29222990
- Toxicity
- LD50 oral in rat: 3300mg/kg
- risk_code
- 37/38-41-22-21
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- Xn
- safety_code
- 26-36/37/39-36/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H303-H318-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P280i-P305+P351+P338-P310a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing InformationPhenol, 4-(phenylamino)-: ACTIVE
Applications
Uses4-Hydroxydiphenylamine is used as a reactant in the preparation of iron methylisopropylglyoxime dimethylpyridine/dimethylaminopyridine/phenylaminophenol/imidazolidone complexes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
Syntechem Co.,Ltd[email protected]
南通萧畅医药贸易有限公司0513-82104991 18862997351 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
济南德信佳生物科技有限公司0531-82375886 13001715031 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Beckmann-Kenko GmbH+49 4241 9308 88 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
深圳市华先医药科技有限公司Q:3003761227 17722620669 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Shenzhen Excellent Biotech Co., Ltd.13480692018 · [email protected]
上海灏云化工科技有限公司021-68367562 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
Additional notes
DefinitionGray solid leaflets. Insoluble in water; soluble in alcohol, ether, acetone, chloroform, alkali, and benzene.
Related reactions
20 records
Compound notes
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