Basic information
- CAS
6264-66-0- Standard SMILES
Nc1ccc(Oc2ccc(N)c(N)c2)cc1- InChIKey
MPKIJEUTPZPJFP-UHFFFAOYSA-N- Molecular formula
- C12H13N3O
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.10586205
Names & identifiers
- Preferred name
- 1,2-Benzenediamine, 4-(4-aminophenoxy)-
- IUPAC
- 4-(4-aminophenoxy)benzene-1,2-diamine
- English name
- 3,4,4'-Triaminodiphenyl ether
- Molecular formula
- C12H13N3O
- Molecular weight
- 215.25
Names & synonyms
6264-66-01,2-Benzenediamine, 4-(4-aminophenoxy)-4-(4-Aminophenoxy)-1,2-benzenediamineCCRIS 66833,4,4'-Triaminodiphenyl oxideo-Phenylenediamine, 4-(p-aminophenoxy)-EINECS 228-425-9BRN 2731947RefChem:4110741,2-Benzenediamine, 4-(4-aminophenoxy)-(9CI)228-425-93,4,4'-Triaminodiphenyl ether
Show more names
3,4,4’-triaminodiphenyloxide3,4,4-TRIAMINODIPHENYL ETHER 98+%4-(4-aminophenoxy)-2-benzenediamine4-(p-aminophenoxy)-o-phenylenediamin
4-(4-aminophenoxy)benzene-1,2-diamineMFCD00191504DTXSID1021372FG7FY3NCN41,2-Benzenediamine,4-(4-aminophenoxy)-3,4,4'-TRIAMINODIPHENYLETHERUNII-FG7FY3NCN44-[(4-aminophenyl)oxy]benzene-1,2-diamine
Database identifiers
- CAS
6264-66-0- PubChem CID
- 80434
- DTXSID
DTXSID1021372- ChEMBL
CHEMBL3183092- UNII
- FG7FY3NCN4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
Collision Cross Section159.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1021372]
Physicochemical properties
- Melting point
- 150 · 150-152 °C
- Boiling point
- 433.9 · 433.9±40.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- 5.22 · 5.22±0.10(Predicted)
- color
- Light yellow to Brown to Dark green
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 FY3NCN4 · FG7FY3NCN4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- rtecs
- SS8080000
- hs_code
- 2922.29.8190
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P362+P364-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Suppliers28 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
1 records
Compound notes
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