Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
MWAGUKZCDDRDCS-UHFFFAOYSA-N- Molecular formula
- C12H8N2O5
- Average molar mass
- 260.2 g/mol
- Monoisotopic mass
- 260.04332136
Names & identifiers
- Preferred name
- 1,1'-Oxybis(4-nitrobenzene)
- IUPAC
- 1-nitro-4-(4-nitrophenoxy)benzene
- English name
- 4,4'-Dinitrodiphenyl ether
- Molecular formula
- C12H8N2O5
- Molecular weight
- 260.2
Names & synonyms
4,4'-Dinitrodiphenyl ether101-63-3p-Nitrophenyl etherBis(4-nitrophenyl) etherDi-4-nitrophenyl etherEther, bis(p-nitrophenyl)p,p'-Dinitrodiphenyl etherOxybis(4-nitrobenzene)1,1'-Oxybis(4-nitrobenzene)Bis(p-nitrophenyl) etherOxybis[4-nitrobenzene]DTXSID0026676
Show more names
4,4'-DINITRODIPHENYL OXIDESKL6864-NITROPHENYLETHERDINITROPHENYLETHERdi-4-nitrophenyletherPARA-NITROPHENYLETHER
T852Y5UXCENSC-8740DTXCID3066761,1'-Oxybis[4-nitrobenzene]RefChem:568922202-961-31-Nitro-4-(4-nitrophenoxy)benzene4,4'-Oxybis(nitrobenzene)
Database identifiers
- CAS
101-63-3- PubChem CID
- 7568
- DTXSID
DTXSID0026676- ChEMBL
CHEMBL2270117- UNII
- T852Y5UXCE
- EC Number
- 202-961-3
- Nikkaji
- J60.187J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 140 · 140-145 °C(lit.)
- Boiling point
- 403.46 °C · 403.46°C (rough estimate)
- Density
- 1.3933 · 1.3933 (rough estimate)
- refractive index
- 1.636 · 1.6360 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- Light yellow to Amber to Dark green
- Henry's Law Constant
- 5.4 · 5.4×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- 1S/C12H8N2O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H
- InChIKey
- MWAGUKZCDDRDCS-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
- CAS DataBase Reference
- 101 · 101-63-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 852 Y5UXCE · T852Y5UXCE
- EPA Substance Registry System
- Bis(4-nitrophenyl) ether (101-63-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- RTECS
- 3450000 · KN3450000
- TSCA
- TSCA listed
- HS Code
- 29309090 · 29309090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 mg/plate · mmo-sat 50 mg/plate CRNGDP 6,1811,85
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 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
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；STOT SE 3 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KN3450000
- hs_code
- 29309090
- Toxicity
- mmo-sat 50 mg/plate CRNGDP 6,1811,85
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,1'-oxybis[4-nitro-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [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]
河南赢创生物科技有限公司16650615803 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
陕西纬宇新材料有限公司13772052144 13772052144 · [email protected]
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上海钰康生物科技有限公司18939844854 · [email protected]
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湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
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Alfa Chemistry+1-5166625404 · [email protected]
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上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
江苏雅泽国际贸易有限公司17352330705 17352353340 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 031166536426 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
山东英朗化工有限公司15763463371 15265310975 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
常州北山化工有限公司+86-021-61559630 +86-13761092941 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Related reactions
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