Basic information
- CAS
4194-40-5- Standard SMILES
Nc1cc(-c2ccc(O)c(N)c2)ccc1O- InChIKey
KZLDGFZCFRXUIB-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 3,3'-Diamino-[1,1'-biphenyl]-4,4'-diol
- IUPAC
- 2-amino-4-(3-amino-4-hydroxyphenyl)phenol
- English name
- 3,3'-Diamino-4,4'-dihydroxybiphenyl; >97%
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
Names & synonyms
3,3'-diamino-[1,1'-biphenyl]-4,4'-diol3,3'-Diamino-(1,1'-biphenyl)-4,4'-diolRefChem:484953889-169-74194-40-53,3'-DIAMINO-4,4'-DIHYDROXYBIPHENYL2-amino-4-(3-amino-4-hydroxyphenyl)phenol3,3'-Diamino-4,4'-biphenyldiolMFCD00039150SCHEMBL108713SCHEMBL8853374SCHEMBL29367250
Show more names
4,4'-Bi[2-aminophenol]2,2'-Diamino-4,4'-biphenol3,3'-DIAMINO-4,4'-DIHYDROXYBIPHENY4,4'-Dihydroxy-3,3'-diaminobiphenyl[1,1'-Biphenyl]-4,4'-diol, 3,3'-diaMino->97%3,3-DIAMINO-4,4-DIHYDROXYLBIPHENYL(DADHBP)
DTXSID4034645433'-Diamino-[11'-biphenyl]-44'-diol3,3'-Diamino[1,1'-biphenyl]-4,4'-diol2-amino-4-(3-amino-4-hydroxy-phenyl)phenolG858793,3'-Diamino[1,1'-biphenyl]-4,4'-diol #F125100
Database identifiers
- CAS
4194-40-5- PubChem CID
- 612294
- DTXSID
DTXSID40346454
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Boiling point
- 452.9 · 452.9±45.0 °C(Predicted)
- Density
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- pka
- 9.18 · 9.18±0.35(Predicted)
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H341
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P201-P202-P281-P308+P313-P405-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Muta. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H319-H315-H341
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Suppliers25 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海博尼麦德新材料科技有限公司13764849732 13764849732
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
南京芊亿达新材料科技有限公司15384069853
QINGDAO KAIENSI INTERNATIONAL TRADE CO.,LTD.+86-0532-8699-9256 +86-18518128472 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
郑州海阔光电材料有限公司67759225 13526468238 · [email protected]
Related reactions
1 records
Compound notes
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