Basic information
- CAS
2216-12-8- Standard SMILES
O=[N+]([O-])c1ccccc1Oc1ccccc1- InChIKey
VNHGETRQQSYUGZ-UHFFFAOYSA-N- Molecular formula
- C12H9NO3
- Average molar mass
- 215.2 g/mol
- Monoisotopic mass
- 215.05824315
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Nitrophenyl phenyl ether
- IUPAC
- 1-nitro-2-phenoxybenzene
- English name
- 2-Nitrodiphenyl ether
- Molecular formula
- C12H9NO3
- Molecular weight
- 215.2
Names & synonyms
2-Nitrophenyl phenyl etherRefChem:765591-Nitro-2-phenoxybenzene2216-12-82-Nitrodiphenyl etherBenzene, 1-nitro-2-phenoxy-o-Nitrophenyl phenyl etherEther, o-nitrophenyl phenyl2-NdePhenyl o-nitrophenyl etherETHER, 2-NITROPHENYL PHENYLNimesulide Impurity 8
Show more names
2-PHENOXYNITROBENZENE1-Phenoxy-2-nitrobenzene2-NITRODIPHENYL ETHER 99%ether,2-nitrophenylphenylPhenyl 2-nitrophenyl ether
Ether, 2-nitrodiphenyl,MFCD000357441-nitro-2-phenoxy-benzeneQJ69FHE7Y3AI3-14819NSC-5419NSC642583Ganoderic-acid-G
Database identifiers
- CAS
2216-12-8- PubChem CID
- 16661
- DTXSID
DTXSID1062259- ChEMBL
CHEMBL2270123- UNII
- QJ69FHE7Y3
- EC Number
- 218-684-6
- Nikkaji
- J49.877G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- -20 °C · <-20 °C
- Boiling point
- 106 · 106-108 °C0.01 mm Hg(lit.)
- Density
- 1.241 g/mL · 1.241 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.600
- Flash point
- 181 °C · 181 °C
- color
- Yellow oil
- BRN
- 2051914 · 2051914
- CAS DataBase Reference
- 2216 · 2216-12-8(CAS DataBase Reference)
- FDA UNII
- 69 FHE7Y3 · QJ69FHE7Y3
- NIST Chemistry Reference
- 1 · Benzene, 1-nitro-2-phenoxy-(2216-12-8)
- EPA Substance Registry System
- 1 · Benzene, 1-nitro-2-phenoxy- (2216-12-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 38 · 38-36/37/38
- Safety Statements
- 23 · 23-24/25-36/37/39-26
- WGK Germany
- 3 · 3
- RTECS
- 2650000 · KO2650000
- F
- 9 · 9
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29093090 · 29093090
- Toxicity
- 50 ivn-mus: · LD50 ivn-mus: 838 mg/kg TXCYAC 8,347,77
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 9
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KO2650000
- hs_code
- 29093090
- Toxicity
- LD50 ivn-mus: 838 mg/kg TXCYAC 8,347,77
- risk_code
- 38-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 23-24/25-36/37/39-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-nitro-2-phenoxy-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers23 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
安徽合诺生物科技有限公司0555-2761852
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]
安徽合诺生物科技有限公司18455579438
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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